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

Systemtic Name: [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-11-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate Openeye Name: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-11-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate CAS Name: butanoic acid [(8S,9S,10R,11S,13S,14S,17R)-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-11-(1-oxopropoxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-11-propanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate Traditional Name: butyric acid [(8S,9S,10R,11S,13S,14S,17R)-17-glycoloyl-3-keto-10,13-dimethyl-11-propionyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C28H40O7 MolecularWeight: 488.613

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)OC(=O)CC)C)C(=O)CO

Isomeric SMILES

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

InChI

InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-29)13-11-20-19-9-8-17-14-18(30)10-12-26(17,3)25(19)21(15-27(20,28)4)34-23(32)6-2/h14,19-21,25,29H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1