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10376-48-4

Basic Information
CAS No.: 10376-48-4
Name: SHIONONE
Molecular Structure:
Molecular Structure of 10376-48-4 (SHIONONE)
Formula: C30H50O
Molecular Weight: 426.726
Synonyms: 2(1H)-Chrysenone,hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-pentenyl)-,(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)- (9CI);D-Homo-5a-androstan-17-one, 3a,5,8,17ab-tetramethyl-3-(4-methyl-3-pentenyl)- (8CI);D:A-Friedo-18,19-secolup-19-en-3-one;Shionone (6CI,7CI);2(1H)-Chrysenone, hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-pentenyl)-,[1R-(1a,4ab,4ba,6ab,8b,10aa,10bb,12aa)]-;Shionon;(1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one;2(1H)-chrysenone, hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-penten-1-yl)-, (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-;
Density: 0.941 g/cm3
Melting Point: 161-162°
Boiling Point: 485.6 °C at 760 mmHg
Flash Point: 200.5 °C
Safety: 24/25
PSA: 17.07000
LogP: 8.76720
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    1.Purification of platform in separation of natural products 2.Heb reference substance supply center 3.Process Development Engineering Center for products 4.High purity&competitive price&good service. Appearance:white crystalline p

    Chengdu Herbpurify Co.Ltd. is specialized in the research,development,manufacture and marketing of High Pure Phytochemicals,High Content Herbal Extracts,and Active Pharmaceutical

  • Chengdu Herbpurify Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:0086-028-85249238

    Address:Room709-C1,Incubator Building, Tianfu Life Science Park No.88,Keyuan Road,Gaoxin district,Chengdu City,Sichuan Prov,China

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  • Shionone 10376-48-4

  • Casno:

    10376-48-4

    Shionone 10376-48-4

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-1.0

    The company is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Our business includes research, development, process optimization and product

    Prime Molecular Co., Ltd. is an advanced chemical intermediates manufacture with ?two R&D centers and two production sites in China, all well-equipped with dedicated and profession

  • PRIME MOLECULAR CO.,LIMITED

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:0852-0755-61104662

    Address:Hong Kong

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  • Shionone

  • Casno:

    10376-48-4

    Shionone

    Min.Order: 20 Milligram

    FOB Price:  USD $ 0.0-0.0

    We are a leading supplier of phytochemical reference standards.We are confidant that we will assure you of any quality problems and provide you with competitive price.In addition, if you ordered, we can send you products first with Net 30 days paym

    Chengdu Alfa Biotechnology Co.,Ltd. is a leading supplier of herbal and botanical references standards for regulatory filing and quality testing or early stage R&D,professional in

  • Chengdu Alfa Biotechnology Co.,Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-28-85142057

    Address:No.230,Longyin Road,Xipu,Pixian County

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  • Shionone

  • Casno:

    10376-48-4

    Shionone

    Min.Order: 0 Milligram

    FOB Price:  USD $ 0.0-0.0

    Our relying on perfect quality management system, strict raw materials circulation management system, strict process control program, advanced detection means and strict testing system, fully and effectively guarantee the product quality, look forw

    Gelipu offers R&D and separating of natural compounds from mgs through grams to Kgs, custom synthesis service,library screening. Gelipu supply thousands of reference standard used

  • Chengdu Gelipu Biotechnology Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-28-82610909

    Address:chegndu

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Specification

The Shionone, with the CAS registry number 10376-48-4, has the systematic name of (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C30H50O.

The characteristics of Shionone are as followings: (1)ACD/LogP: 11.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11; (4)ACD/LogD (pH 7.4): 11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 132.81 cm3; (15)Molar Volume: 453.2 cm3; (16)Polarizability: 52.65×10-24cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.941 g/cm3; (19)Flash Point: 200.5 °C; (20)Enthalpy of Vaporization: 75.11 kJ/mol; (21)Boiling Point: 485.6 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C/C(C)=C\CC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C)C(=O)CC[C@H]4[C@]3(C)CC[C@@]2(C)C1
(2)InChI: InChI=1/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1
(3)InChIKey: HXPXUNQUXCHJLL-LZQQOHPBBR