(3S,5R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,5R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Openeye Name: (3S,5R,10R,13R,14R,17R)-5-(hydroxymethyl)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol CAS Name: (3S,5R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,5R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-(hydroxymethyl)-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Traditional Name: (3S,5R,10R,13R,14R,17R)-10,13-dimethyl-5-methylol-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol Formula: C29H48O2 MolecularWeight: 428.69022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4(C3(CCC(C4)O)C)CO)C

Isomeric SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2=CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)CO)C

InChI

InChI=1S/C29H48O2/c1-19(2)20(3)7-8-21(4)24-9-10-25-23-12-16-29(18-30)17-22(31)11-15-28(29,6)26(23)13-14-27(24,25)5/h7-8,12,19-22,24-26,30-31H,9-11,13-18H2,1-6H3/b8-7+/t20-,21+,22-,24+,25-,26?,27+,28+,29-/m0/s1