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

Systemtic Name: (3S,8S,9S,10R,13R,14S,17R)-1-ethyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,8S,9S,10R,13R,14S,17R)-1-ethyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-1-ethyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-1-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C29H50O MolecularWeight: 414.7067

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CC2=CCC3C4CCC(C4(CCC3C12C)C)C(C)CCCC(C)C)O

Isomeric SMILES

CCC1C[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@@]12C)C)[C@H](C)CCCC(C)C)O

InChI

InChI=1S/C29H50O/c1-7-21-17-23(30)18-22-11-12-24-26-14-13-25(20(4)10-8-9-19(2)3)28(26,5)16-15-27(24)29(21,22)6/h11,19-21,23-27,30H,7-10,12-18H2,1-6H3/t20-,21?,23+,24+,25-,26+,27+,28-,29+/m1/s1