[(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-3,16-bis(oxidanylidene)-17-(5-oxidanylidene-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] ethanoate

Systemtic Name: [(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-3,16-bis(oxidanylidene)-17-(5-oxidanylidene-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] ethanoate Openeye Name: [(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-3,16-dioxo-17-(5-oxo-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate CAS Name: acetic acid [(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-3,16-dioxo-17-(5-oxo-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] ester IUPAC Name: [(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-3,16-dioxo-17-(5-oxo-2H-furan-4-yl)-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate Traditional Name: acetic acid [(5R,7R,8R,9R,10R,13S,17R)-3,16-diketo-17-(5-keto-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] ester Formula: C28H34O6 MolecularWeight: 466.56596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CC(=O)C(C4(CC3)C)C5=CCOC5=O)C)C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC(=O)[C@H]([C@@]4(CC3)C)C5=CCOC5=O)C)C

InChI

InChI=1S/C28H34O6/c1-15(29)34-22-14-19-25(2,3)21(31)8-11-26(19,4)18-7-10-27(5)20(28(18,22)6)13-17(30)23(27)16-9-12-33-24(16)32/h8-9,11,13,18-19,22-23H,7,10,12,14H2,1-6H3/t18-,19+,22-,23-,26-,27-,28-/m1/s1