Stigmastane
(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Stigmastane|Stigmastan|5xi-Stigmastane|alpha-Stigmastane|.alpha.-Stigmastane|5.alpha.-Stigmastane|(20R)-Stigmastane|(24R)-5.alpha.-Stigmastane|(24R)-5alpha-Stigmastane|Cholestane, 24-ethyl-, (24R)-|(8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene|1H-Cyclopenta[a]phenanthrene, 17-(4-ethyl-1,5-dimethylhexyl)hexadecahydro-10,13-dimethyl-, [8R-[8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.,17.alpha.(1R*,4R*)]]-|(3R,6R)-6-[(1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-ethyl-2-methylheptane|(8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene|(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one|1H-Cyclopenta(a)phenanthrene, 17-(4-ethyl-1,5-dimethylhexyl)hexadecahydro-10,13-dimethyl-, (8R-(8alpha,9beta,10alpha,13alpha,14beta,17alpha(1R*,4R*)))-
| Molecular Formula | C29H52 |
|---|---|
| Molecular Weight | 400.4069 g/mol |
| LogP | 9.1339 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.4069 |
| Monoisotopic Mass | 400.4069 |
| Heavy Atoms | 29 |
| Complexity | 548.2416 |
Chemical Identifiers
| CAS Number | 601-58-1 |
|---|---|
| SMILES | CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C)C(C)C |
Product Overview
Stigmastane (CAS 601-58-1), with molecular formula C29H52 and molecular weight 400.4069 g/mol. IUPAC: (8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
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