3-[(4S,5R,8S,9R,13R,14R,17R)-5,8,9,13-tetramethyl-3-oxidanylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanoic acid

Systemtic Name: 3-[(4S,5R,8S,9R,13R,14R,17R)-5,8,9,13-tetramethyl-3-oxidanylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanoic acid Openeye Name: 3-[(4S,5R,8S,9R,13R,14R,17R)-17-isopropyl-5,8,9,13-tetramethyl-3-oxo-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanoic acid CAS Name: 3-[(4S,5R,8S,9R,13R,14R,17R)-5,8,9,13-tetramethyl-3-oxo-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanoic acid IUPAC Name: 3-[(4S,5R,8S,9R,13R,14R,17R)-5,8,9,13-tetramethyl-3-oxo-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanoic acid Traditional Name: 3-[(4S,5R,8S,9R,13R,14R,17R)-17-isopropyl-3-keto-5,8,9,13-tetramethyl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propionic acid Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CCC(=O)C4CCC(=O)O)C)C)C)C

Isomeric SMILES

CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC[C@@]4(C3CCC(=O)[C@H]4CCC(=O)O)C)C)C)C

InChI

InChI=1S/C27H44O3/c1-17(2)18-7-10-21-24(18,3)13-15-27(6)22-11-9-20(28)19(8-12-23(29)30)25(22,4)14-16-26(21,27)5/h17-19,21-22H,7-16H2,1-6H3,(H,29,30)/t18-,19-,21-,22?,24-,25+,26+,27-/m1/s1