3-[6-ethyl-10,13-dimethyl-5,17-bis(oxidanyl)-3-oxidanylidene-7-propan-2-yloxycarbonyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid

Systemtic Name: 3-[6-ethyl-10,13-dimethyl-5,17-bis(oxidanyl)-3-oxidanylidene-7-propan-2-yloxycarbonyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid Openeye Name: 3-(6-ethyl-5,17-dihydroxy-7-isopropoxycarbonyl-10,13-dimethyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoic acid CAS Name: 3-[6-ethyl-5,17-dihydroxy-10,13-dimethyl-3-oxo-7-[oxo(propan-2-yloxy)methyl]-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid IUPAC Name: 3-(6-ethyl-5,17-dihydroxy-10,13-dimethyl-3-oxo-7-propan-2-yloxycarbonyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoic acid Traditional Name: 3-(6-ethyl-5,17-dihydroxy-7-isopropoxycarbonyl-3-keto-10,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)propionic acid Formula: C28H44O7 MolecularWeight: 492.64476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(CCC3(C2CCC3(CCC(=O)O)O)C)C4(C1(CC(=O)CC4)O)C)C(=O)OC(C)C

Isomeric SMILES

CCC1C(C2C(CCC3(C2CCC3(CCC(=O)O)O)C)C4(C1(CC(=O)CC4)O)C)C(=O)OC(C)C

InChI

InChI=1S/C28H44O7/c1-6-18-23(24(32)35-16(2)3)22-19-9-13-27(33,14-10-21(30)31)25(19,4)12-8-20(22)26(5)11-7-17(29)15-28(18,26)34/h16,18-20,22-23,33-34H,6-15H2,1-5H3,(H,30,31)