-Spinasterol
(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Chondrillasterol|Condrillasterol|-Spinasterol|(24S)-5alpha-Stigmasta-7,22-dien-3beta-ol|(24s)-24-ethyl-5alpha-cholesta-7,22-dien-3beta-ol|(1R,3aR,5aS,7S,9aS,9bR,11aR)-1-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
| Molecular Formula | C29H48O |
|---|---|
| Molecular Weight | 412.3705 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.3705 |
| Heavy Atoms | 30 |
| Complexity | 673.9 |
Chemical Identifiers
| CAS Number | 481-18-5 |
|---|---|
| SMILES | CC[C@H](C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
Product Overview
-Spinasterol (CAS 481-18-5), with molecular formula C29H48O and molecular weight 412.3705 g/mol. IUPAC: (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
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