(4R)-4-[(3R,7R,10S,13R)-10,13-dimethyl-6-(2-methylpropyl)-3,7-bis(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: (4R)-4-[(3R,7R,10S,13R)-10,13-dimethyl-6-(2-methylpropyl)-3,7-bis(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: (4R)-4-[(3R,7R,10S,13R)-3,7-dihydroxy-6-isobutyl-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: (4R)-4-[(3R,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-6-(2-methylpropyl)-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: (4R)-4-[(3R,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-6-(2-methylpropyl)-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: (4R)-4-[(3R,7R,10S,13R)-3,7-dihydroxy-6-isobutyl-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: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O

Isomeric SMILES

C[C@H](CCC(=O)O)C1CCC2[C@@]1(CCC3C2[C@@H](C(C4[C@@]3(CC[C@H](C4)O)C)CC(C)C)O)C

InChI

InChI=1S/C28H48O4/c1-16(2)14-19-23-15-18(29)10-12-28(23,5)22-11-13-27(4)20(17(3)6-9-24(30)31)7-8-21(27)25(22)26(19)32/h16-23,25-26,29,32H,6-15H2,1-5H3,(H,30,31)/t17-,18-,19?,20?,21?,22?,23?,25?,26-,27-,28-/m1/s1