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

Systemtic Name: 6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethyl-hexane-2,4-diol Openeye Name: 6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethyl-hexane-2,4-diol CAS Name: 6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol IUPAC Name: 6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethylhexane-2,4-diol Traditional Name: 6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,4-dimethyl-hexane-2,4-diol Formula: C27H46O3 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2CCC(C)(CC(C)(C)O)O)CC=C4C3(CCC(C4)O)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CCC(C)(CC(C)(C)O)O)CC=C4[C@@]3(CC[C@@H](C4)O)C

InChI

InChI=1S/C27H46O3/c1-24(2,29)17-25(3,30)13-10-18-7-9-22-21-8-6-19-16-20(28)11-14-27(19,5)23(21)12-15-26(18,22)4/h6,18,20-23,28-30H,7-17H2,1-5H3/t18-,20+,21+,22+,23+,25?,26-,27+/m1/s1