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

Systemtic Name: [(8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentyl carbonate Openeye Name: [(8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentyl carbonate CAS Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-17-[2-[butoxy(oxo)methoxy]-1-oxoethyl]-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentyl ester IUPAC Name: [(8S,9S,10R,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentyl carbonate Traditional Name: carbonic acid [2-[(8S,9S,10R,13S,14S,17R)-17-amoxycarbonyloxy-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] butyl ester Formula: C32H46O9 MolecularWeight: 574.70224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)OCCCC

Isomeric SMILES

CCCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COC(=O)OCCCC

InChI

InChI=1S/C32H46O9/c1-5-7-9-17-39-29(37)41-32(26(35)20-40-28(36)38-16-8-6-2)15-13-24-23-11-10-21-18-22(33)12-14-30(21,3)27(23)25(34)19-31(24,32)4/h12,14,18,23-25,27,34H,5-11,13,15-17,19-20H2,1-4H3/t23-,24-,25?,27+,30-,31-,32-/m0/s1