[2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[(8S,9S,10R,13S,14S,17R)-17-[butoxy(oxo)methoxy]-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[(8S,9S,10R,13S,14S,17R)-17-butoxycarbonyloxy-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C31H44O8 MolecularWeight: 544.67626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCCCC

Isomeric SMILES

CCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCCCC

InChI

InChI=1S/C31H44O8/c1-5-7-9-26(35)38-19-25(34)31(39-28(36)37-16-8-6-2)15-13-23-22-11-10-20-17-21(32)12-14-29(20,3)27(22)24(33)18-30(23,31)4/h12,14,17,22-24,27,33H,5-11,13,15-16,18-19H2,1-4H3/t22-,23-,24?,27+,29-,30-,31-/m0/s1