(3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-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)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-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)-10,13-dimethyl-17-[(Z,1R)-1,4,5-trimethylhex-3-enyl]-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)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-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)-17-[(Z,2R)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-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)-10,13-dimethyl-17-[(Z,1R)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C28H46O MolecularWeight: 398.66424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C

Isomeric SMILES

C[C@H](C/C=C(/C)\C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

InChI

InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,9,18,20,22-26,29H,8,10-17H2,1-6H3/b19-7-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1