[(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-7-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate

Systemtic Name: [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-7-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate Openeye Name: [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] acetate CAS Name: acetic acid [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] ester IUPAC Name: [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate Traditional Name: acetic acid [(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ester Formula: C29H46O4 MolecularWeight: 458.67314

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C)COC(=O)C

Isomeric SMILES

C[C@H](CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C)COC(=O)C

InChI

InChI=1S/C29H46O4/c1-18(17-33-20(3)30)7-6-8-19(2)23-9-10-24-27-25(12-14-29(23,24)5)28(4)13-11-22(31)15-21(28)16-26(27)32/h15,18-19,23-27,32H,6-14,16-17H2,1-5H3/t18-,19-,23-,24+,25+,26-,27+,28+,29-/m1/s1