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

Systemtic Name: 3-(3-acetyloxy-10,13-dimethyl-17-oxidanyl-7-propan-2-yloxycarbonyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propanoic acid Openeye Name: 3-(3-acetoxy-17-hydroxy-7-isopropoxycarbonyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propanoic acid CAS Name: 3-[3-acetyloxy-17-hydroxy-10,13-dimethyl-7-[oxo(propan-2-yloxy)methyl]-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid IUPAC Name: 3-(3-acetyloxy-17-hydroxy-10,13-dimethyl-7-propan-2-yloxycarbonyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propanoic acid Traditional Name: 3-(3-acetoxy-17-hydroxy-7-isopropoxycarbonyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)propionic acid Formula: C28H40O7 MolecularWeight: 488.613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C=C2C=C(CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C)OC(=O)C

Isomeric SMILES

CC(C)OC(=O)C1C=C2C=C(CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C)OC(=O)C

InChI

InChI=1S/C28H40O7/c1-16(2)34-25(32)20-15-18-14-19(35-17(3)29)6-10-26(18,4)21-7-11-27(5)22(24(20)21)8-12-28(27,33)13-9-23(30)31/h14-16,20-22,24,33H,6-13H2,1-5H3,(H,30,31)