methyl (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-4-oxidanyl-3-oxidanylidene-7-(phenylmethoxymethoxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-4-oxidanyl-3-oxidanylidene-7-(phenylmethoxymethoxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-(benzyloxymethoxy)-4-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-4-hydroxy-10,13-dimethyl-3-oxo-7-(phenylmethoxymethoxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-4-hydroxy-10,13-dimethyl-3-oxo-7-(phenylmethoxymethoxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-(benzoxymethoxy)-4-hydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C33H46O6 MolecularWeight: 538.71474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4=C(C(=O)CCC34C)O)OCOCC5=CC=CC=C5)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=C(C(=O)CC[C@]34C)O)OCOCC5=CC=CC=C5)C

InChI

InChI=1S/C33H46O6/c1-21(10-13-29(35)37-4)23-11-12-24-30-25(14-16-32(23,24)2)33(3)17-15-27(34)31(36)26(33)18-28(30)39-20-38-19-22-8-6-5-7-9-22/h5-9,21,23-25,28,30,36H,10-20H2,1-4H3/t21-,23-,24+,25+,28-,30+,32-,33-/m1/s1