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

Systemtic Name: [(6S,8S,9S,10R,11S,13S,14S,17R)-6,10,13-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-methoxyethanoate Openeye Name: [(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(6S,8S,9S,10R,11S,13S,14S,17R)-17-glycoloyl-11-hydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C25H34O7 MolecularWeight: 446.53326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OC(=O)COC

Isomeric SMILES

C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OC(=O)COC

InChI

InChI=1S/C25H34O7/c1-14-9-16-17-6-8-25(20(29)12-26,32-21(30)13-31-4)24(17,3)11-19(28)22(16)23(2)7-5-15(27)10-18(14)23/h5,7,10,14,16-17,19,22,26,28H,6,8-9,11-13H2,1-4H3/t14-,16-,17-,19-,22+,23-,24-,25-/m0/s1