Stigmastane structure

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*)))-

CAS: 601-58-1
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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