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

Systemtic Name: [(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-6-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ethanoate Openeye Name: [(5R,6R,7S,9R,10R,13S,17R)-17-(3-furyl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate CAS Name: acetic acid [(5R,6R,7S,9R,10R,13S,17R)-17-(3-furanyl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester IUPAC Name: [(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-6-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate Traditional Name: acetic acid [(5R,6R,7S,9R,10R,13S,17R)-17-(3-furyl)-6-hydroxy-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester Formula: C28H36O5 MolecularWeight: 452.58244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C5=COC=C5)C)C)(C)C)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C)O

InChI

InChI=1S/C28H36O5/c1-16(29)33-24-22(31)23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,24)6/h8,10-11,13-15,18,20,22-24,31H,7,9,12H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28?/m0/s1