[(8S,9S,10R,11S,13S,14S,17R)-17-(2-butoxycarbonyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate

Systemtic Name: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-butoxycarbonyloxyethanoyl)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate Openeye Name: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate CAS Name: carbonic acid [(8S,9S,10R,11S,13S,14S,17R)-17-[2-[butoxy(oxo)methoxy]-1-oxoethyl]-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl ester IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate Traditional Name: carbonic acid [(8S,9S,10R,11S,13S,14S,17R)-17-(2-butoxycarbonyloxyacetyl)-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl ester Formula: C29H42O9 MolecularWeight: 534.63838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)OC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H42O9/c1-5-7-14-36-25(33)37-17-23(32)29(38-26(34)35-6-2)13-11-21-20-9-8-18-15-19(30)10-12-27(18,3)24(20)22(31)16-28(21,29)4/h15,20-22,24,31H,5-14,16-17H2,1-4H3/t20-,21-,22-,24+,27-,28-,29-/m0/s1