(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aS,13bS)-5a,5b,8,8,11a-pentamethyl-9,13a-bis(oxidanyl)-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Systemtic Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aS,13bS)-5a,5b,8,8,11a-pentamethyl-9,13a-bis(oxidanyl)-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid Openeye Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aS,13bS)-9,13a-dihydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid CAS Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aS,13bS)-9,13a-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid IUPAC Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aS,13bS)-9,13a-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid Traditional Name: (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aS,13bS)-9,13a-dihydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid Formula: C30H48O4 MolecularWeight: 472.69972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3(CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)O)C(=O)O

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)O)C(=O)O

InChI

InChI=1S/C30H48O4/c1-18(2)19-8-14-29(24(32)33)17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,34)23(19)29/h19-23,31,34H,1,8-17H2,2-7H3,(H,32,33)/t19-,20-,21+,22-,23-,26-,27+,28-,29-,30-/m0/s1