Cas no 126291-46-1 (Ergostane-3,15-diol, (3b,5a,15a)- (9CI))
126291-46-1 structure
Product Name:Ergostane-3,15-diol, (3b,5a,15a)- (9CI)
CAS No:126291-46-1
MF:C28H50O2
MW:418.695409297943
CID:158435
PubChem ID:130876
Update Time:2025-04-19
Ergostane-3,15-diol, (3b,5a,15a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ergostane-3,15-diol, (3b,5a,15a)- (9CI)
- (3S,5S,8R,9S,10S,13R,14S,15S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
- ergostane-3,15-diol
- (3beta,5alpha,15alpha)-ergostane-3,15-diol
- 5alpha,14beta-Ergostane-3beta,15beta-diol
- 5alpha-Ergostane-3beta,15alpha-diol
- Ergostane-3,15-diol, (3beta,5alpha,15alpha)-
- DTXSID90925495
- 126291-46-1
-
- Inchi： 1S/C28H50O2/c1-17(2)18(3)7-8-19(4)24-16-25(30)26-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h17-26,29-30H,7-16H2,1-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,26+,27-,28+/m0/s1
- InChI Key： VMNBOLDGMBVGNQ-NAZNOAFGSA-N
- SMILES： O[C@H]1C[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]2(C)CC[C@@H]3[C@@]4(C)CC[C@@H](C[C@@H]4CC[C@H]3[C@@H]21)O
Computed Properties
- Exact Mass: 418.381080833g/mol
- Monoisotopic Mass: 418.381080833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 601
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.3
- Topological Polar Surface Area: 40.5?2
Ergostane-3,15-diol, (3b,5a,15a)- (9CI) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergosterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Ergosterols and derivatives
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