(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(E,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]phenanthrene-3,16-diol

Systemtic Name: (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(E,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]phenanthrene-3,16-diol Openeye Name: (3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(E,1R)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol CAS Name: (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(E,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]phenanthrene-3,16-diol IUPAC Name: (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(E,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]phenanthrene-3,16-diol Traditional Name: (3S,8S,9S,10R,13S,14S,16S,17R)-10,13-dimethyl-17-[(E,1R)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol Formula: C28H46O2 MolecularWeight: 414.66364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=CCC(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,5)23(22)12-14-28(24,26)6/h7,9,17,19,21-26,29-30H,8,10-16H2,1-6H3/b18-7+/t19-,21+,22-,23+,24+,25+,26+,27+,28+/m1/s1