4-[3-(2,2-dimethylbutanoyloxy)-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Systemtic Name: 4-[3-(2,2-dimethylbutanoyloxy)-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: 4-[3-(2,2-dimethylbutanoyloxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: 4-[3-(2,2-dimethyl-1-oxobutoxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: 4-[3-(2,2-dimethylbutanoyloxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: 4-[3-(2,2-dimethylbutanoyloxy)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid Formula: C30H50O5 MolecularWeight: 490.715

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CCC2(C(C1)CCC3C2CC(C4(C3CCC4C(C)CCC(=O)O)C)O)C

Isomeric SMILES

CCC(C)(C)C(=O)OC1CCC2(C(C1)CCC3C2CC(C4(C3CCC4C(C)CCC(=O)O)C)O)C

InChI

InChI=1S/C30H50O5/c1-7-28(3,4)27(34)35-20-14-15-29(5)19(16-20)9-10-21-23-12-11-22(18(2)8-13-26(32)33)30(23,6)25(31)17-24(21)29/h18-25,31H,7-17H2,1-6H3,(H,32,33)