(E)-4-[[17-(2-acetyloxyethanoyl)-6,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[17-(2-acetyloxyethanoyl)-6,10,13-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[17-(2-acetyloxy-1-oxoethyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[17-(2-acetoxyacetyl)-11-hydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-keto-but-2-enoic acid Formula: C28H34O9 MolecularWeight: 514.56416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34O9/c1-15-11-18-19-8-10-28(22(32)14-36-16(2)29,37-24(35)6-5-23(33)34)27(19,4)13-21(31)25(18)26(3)9-7-17(30)12-20(15)26/h5-7,9,12,15,18-19,21,25,31H,8,10-11,13-14H2,1-4H3,(H,33,34)/b6-5+