[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-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)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-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)-11-hydroxy-17-(2-hydroxyacetyl)-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)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-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)-11-hydroxy-17-(2-hydroxyacetyl)-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 amyl [(8S,9S,10R,13S,14S,17R)-17-glycoloyl-11-hydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C27H38O7 MolecularWeight: 474.58642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)CO

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)CO

InChI

InChI=1S/C27H38O7/c1-4-5-6-13-33-24(32)34-27(22(31)16-28)12-10-20-19-8-7-17-14-18(29)9-11-25(17,2)23(19)21(30)15-26(20,27)3/h9,11,14,19-21,23,28,30H,4-8,10,12-13,15-16H2,1-3H3/t19-,20-,21?,23+,25-,26-,27-/m0/s1