(17-ethanoyl-13-ethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl) 2-iodanylbenzoate

Systemtic Name: (17-ethanoyl-13-ethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl) 2-iodanylbenzoate Openeye Name: (17-acetyl-13-ethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl) 2-iodobenzoate CAS Name: 2-iodobenzoic acid (17-acetyl-13-ethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (17-acetyl-13-ethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl) 2-iodobenzoate Traditional Name: 2-iodobenzoic acid (17-acetyl-13-ethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl) ester Formula: C28H37IO3 MolecularWeight: 548.49605

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C4CCC(CC4CCC3C1CCC2C(=O)C)OC(=O)C5=CC=CC=C5I

Isomeric SMILES

CCC12CCC3C4CCC(CC4CCC3C1CCC2C(=O)C)OC(=O)C5=CC=CC=C5I

InChI

InChI=1S/C28H37IO3/c1-3-28-15-14-21-20-11-9-19(32-27(31)23-6-4-5-7-26(23)29)16-18(20)8-10-22(21)25(28)13-12-24(28)17(2)30/h4-7,18-22,24-25H,3,8-16H2,1-2H3