(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhex-5-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhex-5-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C27H42O MolecularWeight: 382.62178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=C)C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

Isomeric SMILES

C[C@H](CCCC(=C)C)[C@H]1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

InChI

InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,19,21,23-25,28H,1,6-8,11-17H2,2-5H3/t19-,21+,23-,24?,25?,26+,27-/m1/s1