(2Z)-2-[16-acetyloxy-6-(2-ethoxyethanoyloxy)-4,8,10,14-tetramethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-heptanoic acid

Systemtic Name: (2Z)-2-[16-acetyloxy-6-(2-ethoxyethanoyloxy)-4,8,10,14-tetramethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-heptanoic acid Openeye Name: (2Z)-2-[16-acetoxy-6-(2-ethoxyacetyl)oxy-3,7-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-heptanoic acid CAS Name: (2Z)-2-[16-acetyloxy-6-(2-ethoxy-1-oxoethoxy)-3,7-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylheptanoic acid IUPAC Name: (2Z)-2-[16-acetyloxy-6-(2-ethoxyacetyl)oxy-3,7-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylheptanoic acid Traditional Name: (2Z)-2-[16-acetoxy-6-(2-ethoxyacetyl)oxy-3,7-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-enanthic acid Formula: C35H56O9 MolecularWeight: 620.81374

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OC1C2C(C(CCC2(C3CCC4C(=C(CCCC(C)C)C(=O)O)C(CC4(C3(C1O)C)C)OC(=O)C)C)O)C

Isomeric SMILES

CCOCC(=O)OC1C2C(C(CCC2(C3CCC4/C(=C(\CCCC(C)C)/C(=O)O)/C(CC4(C3(C1O)C)C)OC(=O)C)C)O)C

InChI

InChI=1S/C35H56O9/c1-9-42-18-27(38)44-30-29-20(4)24(37)15-16-33(29,6)26-14-13-23-28(22(32(40)41)12-10-11-19(2)3)25(43-21(5)36)17-34(23,7)35(26,8)31(30)39/h19-20,23-26,29-31,37,39H,9-18H2,1-8H3,(H,40,41)/b28-22-