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  • Methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-(((E)-4-acetoxy-3,4-dimethylpent-2-enoyl)oxy)-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)

    Cas No: 53729-52-5

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  • 53729-52-5 Structure
  • Basic information

    1. Product Name: Bruceantinol
    2. Synonyms: Bruceantinol
    3. CAS NO:53729-52-5
    4. Molecular Formula: C30H38O13
    5. Molecular Weight: 606.61492
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 53729-52-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 788.2°Cat760mmHg
    3. Flash Point: 253.6°C
    4. Appearance: /
    5. Density: 1.43g/cm3
    6. Vapor Pressure: 1.04E-28mmHg at 25°C
    7. Refractive Index: 1.594
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 8.81±0.70(Predicted)
    11. CAS DataBase Reference: Bruceantinol(CAS DataBase Reference)
    12. NIST Chemistry Reference: Bruceantinol(53729-52-5)
    13. EPA Substance Registry System: Bruceantinol(53729-52-5)
  • 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: 53729-52-5(Hazardous Substances Data)

53729-52-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 53729-52-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,7,2 and 9 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 53729-52:
(7*5)+(6*3)+(5*7)+(4*2)+(3*9)+(2*5)+(1*2)=135
135 % 10 = 5
So 53729-52-5 is a valid CAS Registry Number.
InChI:InChI=1/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1

53729-52-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name BRUCEANTINOL

1.2 Other means of identification

Product number -
Other names -

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:53729-52-5 SDS

53729-52-5Downstream Products

53729-52-5Relevant articles and documents

Screening of Indonesian medicinal plant extracts for antibabesial activity and isolation of new quassinoids from Brucea javanica

Subeki,Matsuura, Hideyuki,Takahashi, Kosaku,Nabeta, Kensuke,Yamasaki, Masahiro,Maede, Yoshimitsu,Katakura, Ken

, p. 1654 - 1657 (2008/03/11)

Boiled extracts derived from 28 Indonesian medicinal plants were screened for their antibabesial activity against Babesia gibsoni in vitro. Of these extracts, the fruit of Brucea javanica was the most active in inhibiting parasite growth at a concentration of 10 μg/mL. Bioassay-guided fractionation of the fruit extract of Br. javanica led to the isolation of two new quassinoids, bruceantinol B and bruceine J, and the structures of these compounds were elucidated on the basis of their spectroscopic data and by chemical transformation to known compounds. In addition, the known quassinoids bruceines A-D, bruceantinol, and yadanziolide A were isolated. Antibabesial activities were also examined in vitro, and bruceine A and bruceantinol were shown to be more potent than diminazene aceturate, a drug (IC50 = 103 ng/mL) used clinically against B. gibsoni, with IC50 values of 4 and 12 ng/mL, respectively.

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