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Deacylmetaplexigenin is a triterpenoid compound derived from the roots of black cohosh (Actaea racemosa), exhibiting a range of pharmacological activities. It is recognized for its potential estrogenic effects, making it an active ingredient in the treatment of menopausal symptoms. Additionally, this compound has demonstrated anti-inflammatory, antioxidant, and anti-tumor properties, positioning it as a promising candidate for the development of new therapeutic agents. Its potential in treating osteoporosis has also been noted, as it can improve bone mineral density.

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  • 3513-04-0 Structure
  • Basic information

    1. Product Name: Deacylmetaplexigenin
    2. Synonyms: Deacylmetaplexigenin;(17S)-3β,8,12β,14β,17-Pentahydroxypregn-5-en-20-one;(17S)-3β,8β,12β,14β,17-Pentahydroxypregn-5-en-20-one;12-O-Deacetylmetaplexigenin;Deacetylmetaplexigenin
    3. CAS NO:3513-04-0
    4. Molecular Formula: C21H32O6
    5. Molecular Weight: 380.47518
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3513-04-0.mol
  • Chemical Properties

    1. Melting Point: 218-223℃
    2. Boiling Point: 568.8±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.36±0.1 g/cm3 (20 ºC 760 Torr)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 12.19±0.70(Predicted)
    10. CAS DataBase Reference: Deacylmetaplexigenin(CAS DataBase Reference)
    11. NIST Chemistry Reference: Deacylmetaplexigenin(3513-04-0)
    12. EPA Substance Registry System: Deacylmetaplexigenin(3513-04-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3513-04-0(Hazardous Substances Data)

3513-04-0 Usage

Uses

Used in Menopause Treatment:
Deacylmetaplexigenin is used as a therapeutic agent for menopausal symptoms due to its potential estrogenic effects, helping alleviate issues associated with hormonal changes in women.
Used in Anti-inflammatory Applications:
In the field of anti-inflammatory treatments, Deacylmetaplexigenin is utilized for its ability to reduce inflammation, offering relief from various inflammatory conditions.
Used in Antioxidant Therapies:
Deacylmetaplexigenin is employed as an antioxidant agent, leveraging its capacity to neutralize harmful free radicals and protect the body from oxidative stress.
Used in Anti-tumor Therapies:
In oncology, Deacylmetaplexigenin is used as an anti-tumor agent, contributing to the development of new cancer treatments by targeting tumor growth and progression.
Used in Osteoporosis Treatment:
In the medical field of bone health, Deacylmetaplexigenin is used for the treatment of osteoporosis, as it has been shown to enhance bone mineral density, providing support against bone loss and fragility.
Further research is necessary to fully explore the therapeutic potential and safety profile of Deacylmetaplexigenin, ensuring its effective and safe application in various medical fields.

Check Digit Verification of cas no

The CAS Registry Mumber 3513-04-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,5,1 and 3 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 3513-04:
(6*3)+(5*5)+(4*1)+(3*3)+(2*0)+(1*4)=60
60 % 10 = 0
So 3513-04-0 is a valid CAS Registry Number.

3513-04-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 12-O-deacetylmetaplexigenin

1.2 Other means of identification

Product number -
Other names Deacylmetaplexigenin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3513-04-0 SDS

3513-04-0Downstream Products

3513-04-0Relevant articles and documents

Two new polyhydroxypregnane glycosides from the roots of Cynanchum otophyllum

Shi, Lin-Mei,Liu, Wen-Hong,Yu, Qing,Wan, Hai-Tong

, p. 404 - 405 (2013/09/12)

Two new polyhydroxypregnane glycosides, namely cynotophyllosides I-J, were isolated from the roots of Cynanchum otophyllum, together with three known steroids, namely deacetylmetaplexigenin, sarcostin and hemoside. Their structures were established by ext

Neuroprotective polyhydroxypregnane glycosides from Cynanchum otophyllum

Zhao, Zhi-Min,Sun, Zhang-Hua,Chen, Mei-Hui,Liao, Qiong,Tan, Ming,Zhang, Xin-Wen,Zhu, Han-Dong,Pi, Rong-Biao,Yin, Sheng

, p. 1015 - 1020 (2013/10/21)

Five new polyhydroxypregnane glycosides, namely cynanotosides A-E (1-5), together with two known analogues, deacetylmetaplexigenin (6) and cynotophylloside H (7), were isolated from the roots of Cynanchum otophyllum. Their structures were established by spectroscopic methods and acid hydrolysis. The neuroprotective effects of compounds 1-7 against glutamate-, hydrogen peroxide-, and homocysteic acid (HCA)-induced cell death were tested by MTT assay in a hippocampal neuronal cell line HT22. Compounds 1, 2, and 7 exhibited protective activity against HCA-induced cell death in a dose-dependent manner ranging from 1 to 30 μM, which may explain the Traditional Chinese Medicine (TCM) use of this plant for the treatment of epilepsy.

Verticillosides A-M: Polyoxygenated pregnane glycosides from Asclepias verticillata L.

Araya, Juan J.,Binns, Franklin,Kindscher, Kelly,Timmermann, Barbara N.

experimental part, p. 179 - 189 (2012/07/13)

As part of our ongoing effort to explore the chemical diversity of plants of the United States Midwest region, the isolation and identification of 13 pregnane glycosides named verticillosides A-M from Asclepias verticillata L. are reported. The structures of these compounds were elucidated by various spectroscopic techniques, including 1D and 2D NMR, IR, UV, and HRMS. The cytotoxicity of the isolates was evaluated against paired breast cell lines Hs578T (cancer) and Hs578Bst (normal), however, no significant growth inhibition was observed.

Four new immunomodulating steroidal glycosides from the stems of Stephanotis mucronata

Li, Xiaoyu,Sun, Hongxiang,Ye, Yiping,Chen, Fengyang,Tu, Jue,Pan, Yuanjiang

, p. 683 - 690 (2007/10/03)

Four new C-21 steroidal glycosides, mucronatosides E (1), F (2), G (3), and H (4), were isolated from the stems of Stephanotis mucronata. Two of them had the rare aglycone with a double bond between C-6 and C-7. Their structures were elucidated on the bas

Immunomodulating steroidal glycosides from the roots of Stephanotis mucronata

Ye, Yiping,Li, Xiaoyu,Sun, Hongxiang,Chen, Fengyang,Pan, Yuanjian

, p. 2378 - 2384 (2007/10/03)

Guided by in vitro immunological tests, three immunomodulating steroidal glycosides, stemucronatosides A (1), B (2), and C (3), were isolated from the roots of Stephanotis mucronata. On the basis of chemical evidence and extensive spectroscopic methods including 1D and 2D NMR, their structures were determined as 12-O-deacetylmetaplexigenin 3-[O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1 → 4)-O-β-D-cymaropyranosyl-(1 → 4)-β-D-cymaropyranoside], 12-O-deacetylmetaplexigenin 3-[O-β-D-thevetopyranosyl-(1 → 4)-O-β-D-cymaropyranosyl-(1 → 4)-β-D-cymaropyranoside], and metaplexigenin 3-[O-β-D-glucopyranosyl-(1 → 4)-O-6-de-oxy-3-O-methyl- β-D-allopyranosyl-(1 → 4)-O-β-D-cymaropyranosyl-(1 → 4)-β-D-cymaropyranoside], respectively. These compounds showed immunomodulating activities in vitro.

Steroidal glycosides from the aerial part of Asclepias incarnata

Warashina, Tsutomu,Noro, Tadataka

, p. 485 - 498 (2007/10/03)

The aerial part of Asclepias incarnata afforded 34 pregnane glycosides. These were confirmed to have lineolon, isolineolon, ikemagenin, 12-O- nicotinoyllineolon, deacylmetaplexigenin, metaplexigenin, rostratamine, 12-O- acetyllineolon, 15β-hydroxylineolon

Indonesian medicinal plants. I. Chemical structures of calotroposides A and B, two new oxypregnane-oligoglycosides from the root of Calotropis gigantea (Asclepiadaceae)

Kitagawa,Zhang,Park,Baek,Takeda,Yoshikawa,Shibuya

, p. 2007 - 2013 (2007/10/02)

Two new oxypregnane-oligoglycosides named calotroposides A (1) and B (2) have been isolated from the root of Calotropis gigantea (Asclepiadaceae), an Indonesian medicinal plant, and their chemical structures have been elucidated by chemical and spectroscopic methods as 12-O-benzoyllineolon 3-O-β-D-cymaropyranosyl(1→4)-β-D-oleandropyranosyl(1→4)-β-D-olean dropyranosyl(1→4)-β-D-cymaropyranosyl(1→4)-β-D-cymaropyranoside and 12-O-benzoyldeacetylmetaplexigenin 3-O-β-D-cymaropyranosyl(1→4)-β-D-oleandropyranosyl(1→4)-β-D-olean dropyranosyl(1→4)-β-D-cymaropyranosyl(1→4)-β-D-cymaropyranoside, respectively.

A PREGNANE ESTER TETRAGLYCOSIDE FROM OXYSTELMA ESCULENTUM

Trivedi, Rashmi,Khare, Anakshi,Khare, Maheshwari P.

, p. 2297 - 2300 (2007/10/02)

Oxystelma esculentum; Aslepiadaceae; oxystine; steroid; pregnane ester tetraglycoside.A new pregnane ester tetraglycoside designated as oxystine has been isolated from the dried roots of Oxystelma esculentum.Chemical and spectroscopic evidence is consiste

Studies on the Constituents of Asclepiadaceae Plants. LX. Further Studies on Glycosides with a Novel Sugar Chain Containing a Pair of Optically Isomeric Sugars, D- and L-Cymarose, from Cynanchum wilfordi

Tsukamoto, Sachiko,Hayashi, Koji,Mitsuhashi, Hiroshi

, p. 2294 - 2304 (2007/10/02)

Seven new glycosides named wilfosides D1N (7), K1N (8), M1N (9), F1N (10), W1N (11), W3N (12), and G1G (13) were isolated from Cynanchum wilfordi HEMSLEY (Asclepiadaceae), and their structures were deduced on the basis of spectral and chemical evidence.A

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