ethyl 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbothioylsulfanyl]propanoate

Systemtic Name: ethyl 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbothioylsulfanyl]propanoate Openeye Name: ethyl 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbothioylsulfanyl]propanoate CAS Name: 2-[[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-sulfanylidenemethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbothioylsulfanyl]propanoate Traditional Name: 2-[[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbothioylthio]propionic acid ethyl ester Formula: C33H56O3S2 MolecularWeight: 564.92594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC(=S)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C

Isomeric SMILES

CCOC(=O)C(C)SC(=S)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C33H56O3S2/c1-8-35-30(34)23(5)38-31(37)36-25-16-18-32(6)24(20-25)12-13-26-28-15-14-27(22(4)11-9-10-21(2)3)33(28,7)19-17-29(26)32/h21-29H,8-20H2,1-7H3/t22-,23?,24+,25+,26+,27-,28+,29+,32+,33-/m1/s1