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

Systemtic Name: 3-[10,13-dimethyl-3,17-bis(oxidanyl)-7-propan-2-yloxycarbonyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid Openeye Name: 3-(3,17-dihydroxy-7-isopropoxycarbonyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoic acid CAS Name: 3-[3,17-dihydroxy-10,13-dimethyl-7-[oxo(propan-2-yloxy)methyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid IUPAC Name: 3-(3,17-dihydroxy-10,13-dimethyl-7-propan-2-yloxycarbonyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoic acid Traditional Name: 3-(3,17-dihydroxy-7-isopropoxycarbonyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)propionic acid Formula: C26H40O6 MolecularWeight: 448.5922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C=C2CC(CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C)O

Isomeric SMILES

CC(C)OC(=O)C1C=C2CC(CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C)O

InChI

InChI=1S/C26H40O6/c1-15(2)32-23(30)18-14-16-13-17(27)5-9-24(16,3)19-6-10-25(4)20(22(18)19)7-11-26(25,31)12-8-21(28)29/h14-15,17-20,22,27,31H,5-13H2,1-4H3,(H,28,29)