[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E)-9-(1,3-dimethylcyclohex-2-en-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate

Systemtic Name: [(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E)-9-(1,3-dimethylcyclohex-2-en-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate Openeye Name: [(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E)-9-(1,3-dimethylcyclohex-2-en-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate CAS Name: (2E,4E,6E,8E)-9-(1,3-dimethyl-1-cyclohex-2-enyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid [(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E,6E,8E)-9-(1,3-dimethylcyclohex-2-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate Traditional Name: (2E,4E,6E,8E)-9-(1,3-dimethylcyclohex-2-en-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid [(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C46H70O2 MolecularWeight: 655.0468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CCC1)(C)C=CC(=CC=CC(=CC(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C)C)C

Isomeric SMILES

CC1=CC(CCC1)(C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C)/C)/C

InChI

InChI=1S/C46H70O2/c1-32(2)13-10-17-36(6)40-20-21-41-39-19-18-37-30-38(23-27-45(37,8)42(39)24-28-46(40,41)9)48-43(47)29-34(4)15-11-14-33(3)22-26-44(7)25-12-16-35(5)31-44/h11,14-15,18,22,26,29,31-32,36,38-42H,10,12-13,16-17,19-21,23-25,27-28,30H2,1-9H3/b15-11+,26-22+,33-14+,34-29+/t36-,38+,39?,40-,41?,42?,44?,45+,46-/m1/s1