Cas no 16910-33-1 (Ergost-8-en-3-ol,4,14-dimethyl-, (3b,4a,5a)-)
16910-33-1 structure
Product Name:Ergost-8-en-3-ol,4,14-dimethyl-, (3b,4a,5a)-
CAS No:16910-33-1
MF:C30H52O
MW:428.733289718628
CID:174465
PubChem ID:23258269
Update Time:2025-04-19
Ergost-8-en-3-ol,4,14-dimethyl-, (3b,4a,5a)- Chemical and Physical Properties
Names and Identifiers
-
- Ergost-8-en-3-ol,4,14-dimethyl-, (3b,4a,5a)-
- 24,28-dihydroobtusifoliol
- (3beta,4alpha,5alpha,14xi)-4,14-dimethylergost-8-en-3-ol
- Ergost-8-en-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-
- Dihydroobtusifoliol
- 4a,14a-dimethyl-5a-ergosta-8-en-3b-ol
- (3S,4S,5S,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-4,10,13,14-tetramethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
- 16910-33-1
-
- Inchi： 1S/C30H52O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19-24,27,31H,9-18H2,1-8H3/t20-,21+,22-,23+,24-,27-,28-,29+,30-/m0/s1
- InChI Key： TVOLMEISVFEEJU-AJGJEUHPSA-N
- SMILES： O[C@H]1CC[C@@]2(C)[C@H]([C@@H]1C)CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@]21C
Computed Properties
- Exact Mass: 428.402
- Monoisotopic Mass: 428.402
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 705
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
- XLogP3: 9.2
Experimental Properties
- Density: 0.97
- Boiling Point: 500.7°Cat760mmHg
- Flash Point: 222.4°C
- Refractive Index: 1.519
Ergost-8-en-3-ol,4,14-dimethyl-, (3b,4a,5a)- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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