[10-methanoyl-13-methyl-3,5,14,16-tetrakis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ethanoate

Systemtic Name: [10-methanoyl-13-methyl-3,5,14,16-tetrakis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ethanoate Openeye Name: [10-formyl-3,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate CAS Name: acetic acid [10-formyl-3,5,14,16-tetrahydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ester IUPAC Name: [10-formyl-3,5,14,16-tetrahydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate Traditional Name: acetic acid [10-formyl-3,5,14,16-tetrahydroxy-17-(6-ketopyran-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] ester Formula: C26H34O9 MolecularWeight: 490.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC2(C1(C3CCC4(C(C(CC4(C3CC2)O)O)C5=COC(=O)C=C5)C)C=O)O)O

Isomeric SMILES

CC(=O)OC1CC(CC2(C1(C3CCC4(C(C(CC4(C3CC2)O)O)C5=COC(=O)C=C5)C)C=O)O)O

InChI

InChI=1S/C26H34O9/c1-14(28)35-20-9-16(29)10-24(32)8-6-18-17(25(20,24)13-27)5-7-23(2)22(19(30)11-26(18,23)33)15-3-4-21(31)34-12-15/h3-4,12-13,16-20,22,29-30,32-33H,5-11H2,1-2H3