3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6-propan-2-yloxycarbonyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid

Systemtic Name: 3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-6-propan-2-yloxycarbonyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid Openeye Name: 3-(17-hydroxy-6-isopropoxycarbonyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid CAS Name: 3-[17-hydroxy-10,13-dimethyl-3-oxo-6-[oxo(propan-2-yloxy)methyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid IUPAC Name: 3-(17-hydroxy-10,13-dimethyl-3-oxo-6-propan-2-yloxycarbonyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid Traditional Name: 3-(17-hydroxy-6-isopropoxycarbonyl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propionic acid Formula: C26H38O6 MolecularWeight: 446.57632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC2C(CCC3(C2CCC3(CCC(=O)O)O)C)C4(C1=CC(=O)CC4)C

Isomeric SMILES

CC(C)OC(=O)C1CC2C(CCC3(C2CCC3(CCC(=O)O)O)C)C4(C1=CC(=O)CC4)C

InChI

InChI=1S/C26H38O6/c1-15(2)32-23(30)18-14-17-19(24(3)9-5-16(27)13-21(18)24)6-10-25(4)20(17)7-11-26(25,31)12-8-22(28)29/h13,15,17-20,31H,5-12,14H2,1-4H3,(H,28,29)