[(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-7-oxidanyl-3-oxidanylidene-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] ethanoate

Systemtic Name: [(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-7-oxidanyl-3-oxidanylidene-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] ethanoate Openeye Name: [(5R,6R,7S,9R,10R,13S,17R)-17-(3-furyl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] acetate CAS Name: acetic acid [(5R,6R,7S,9R,10R,13S,17R)-17-(3-furanyl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] ester IUPAC Name: [(5R,6R,7S,9R,10R,13S,17R)-17-(furan-3-yl)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] acetate Traditional Name: acetic acid [(5R,6R,7S,9R,10R,13S,17R)-17-(3-furyl)-7-hydroxy-3-keto-4,4,8,10,13-pentamethyl-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-yl] ester Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2C(C(=O)CCC2(C3CCC4(C(CC=C4C3(C1O)C)C5=COC=C5)C)C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]2[C@](CCC(=O)C2(C)C)([C@H]3CC[C@]4([C@@H](CC=C4C3([C@@H]1O)C)C5=COC=C5)C)C

InChI

InChI=1S/C28H38O5/c1-16(29)33-22-23-25(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(20,6)24(22)31/h8,11,14-15,18,20,22-24,31H,7,9-10,12-13H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28?/m0/s1