Cas no 566-96-1 (5α-Cholesta-7,9(11)-dien-3β-ol)
566-96-1 structure
Product Name:5α-Cholesta-7,9(11)-dien-3β-ol
CAS No:566-96-1
MF:C27H44O
MW:384.637668609619
CID:1599895
PubChem ID:3034667
Update Time:2024-02-29
5α-Cholesta-7,9(11)-dien-3β-ol Chemical and Physical Properties
Names and Identifiers
-
- 5-alpha-cholesta-7,9(11)-dien-3-beta-ol
- Cholesta-7,9-dien-3-beta-ol
- Cholesta-7,9(11)-dien-3-ol, (3beta,5alpha)-
- (3beta,5alpha)-cholesta-7,9(11)-dien-3-ol
- (3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- 5α-Cholesta-7,9(11)-dien-3β-ol
- Cholesta-7,9(11)-dien-3-ol, (3β,5α)-
-
- Inchi： 1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,14,18-21,23-24,28H,6-9,11-13,15-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
- InChI Key： MZGLFGZLQGCELA-XTGBIJOFSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1)CC=C1C2=CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 384.339216
- Monoisotopic Mass: 384.339216
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 643
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 7.7
Experimental Properties
- Density: 1
- Boiling Point: 498°C at 760 mmHg
- Flash Point: 213.5°C
- Refractive Index: 1.535
5α-Cholesta-7,9(11)-dien-3β-ol Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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