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

Systemtic Name: [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-(2-propan-2-yloxycarbonyloxyethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl carbonate Openeye Name: [2-[(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxycarbonyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] isopropyl carbonate CAS Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-[1-oxo-2-[oxo(propan-2-yloxy)methoxy]ethyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl ester IUPAC Name: [(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propan-2-yloxycarbonyloxyacetyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl carbonate Traditional Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-isopropoxycarbonyloxyacetyl)-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl ester Formula: C29H40O9 MolecularWeight: 532.6225

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)OC(C)C

Isomeric SMILES

CCCOC(=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)OC(C)C

InChI

InChI=1S/C29H40O9/c1-6-13-35-26(34)38-29(23(32)16-36-25(33)37-17(2)3)12-10-21-20-8-7-18-14-19(30)9-11-27(18,4)24(20)22(31)15-28(21,29)5/h9,11,14,17,20-22,24,31H,6-8,10,12-13,15-16H2,1-5H3/t20-,21-,22?,24+,27-,28-,29-/m0/s1