methyl (E,4R)-4-[(3S,8S,9S,10R,11R,13S,14S)-3,11-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoate

Systemtic Name: methyl (E,4R)-4-[(3S,8S,9S,10R,11R,13S,14S)-3,11-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoate Openeye Name: methyl (E,4R)-4-[(3S,8S,9S,10R,11R,13S,14S)-3,11-diacetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoate CAS Name: (E,4R)-4-[(3S,8S,9S,10R,11R,13S,14S)-3,11-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4R)-4-[(3S,8S,9S,10R,11R,13S,14S)-3,11-diacetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoate Traditional Name: (E,4R)-4-[(3S,8S,9S,10R,11R,13S,14S)-3,11-diacetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid methyl ester Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(=O)OC)C1=CCC2C1(CC(C3C2CC=C4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C

Isomeric SMILES

C[C@H](/C=C/C(=O)OC)C1=CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)C

InChI

InChI=1S/C29H40O6/c1-17(7-12-26(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)27(22)25(35-19(3)31)16-29(23,24)5/h7-8,10,12,17,21-22,24-25,27H,9,11,13-16H2,1-6H3/b12-7+/t17-,21+,22+,24+,25-,27-,28+,29-/m1/s1