4-[3-[2-(3-iodanylphenyl)ethanoyloxy]-10,13-dimethyl-3,7,7-tris(oxidanyl)-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: 4-[3-[2-(3-iodanylphenyl)ethanoyloxy]-10,13-dimethyl-3,7,7-tris(oxidanyl)-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: 4-[3,7,7-trihydroxy-3-[2-(3-iodophenyl)acetyl]oxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: 4-[3,7,7-trihydroxy-3-[2-(3-iodophenyl)-1-oxoethoxy]-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate IUPAC Name: 4-[3,7,7-trihydroxy-3-[2-(3-iodophenyl)acetyl]oxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: 4-[3,7,7-trihydroxy-3-[2-(3-iodophenyl)acetyl]oxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valerate Formula: C32H44IO7- MolecularWeight: 667.59203

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)(O)OC(=O)CC5=CC(=CC=C5)I)C)(O)O)C

Isomeric SMILES

CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)(O)OC(=O)CC5=CC(=CC=C5)I)C)(O)O)C

InChI

InChI=1S/C32H45IO7/c1-19(7-10-26(34)35)23-8-9-24-28-25(11-12-30(23,24)3)29(2)13-14-31(37,17-21(29)18-32(28,38)39)40-27(36)16-20-5-4-6-22(33)15-20/h4-6,15,19,21,23-25,28,37-39H,7-14,16-18H2,1-3H3,(H,34,35)/p-1