(4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-(3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid

Systemtic Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-(3-methyl-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid Openeye Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(5-hydroxy-3-methyl-5-oxo-pentanoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid CAS Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(5-hydroxy-3-methyl-1,5-dioxopentoxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid IUPAC Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(5-hydroxy-3-methyl-5-oxopentanoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid Traditional Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(5-hydroxy-5-keto-3-methyl-pentanoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid Formula: C36H58O6 MolecularWeight: 586.84212

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)CC(=O)OC1CCC2(C3CCC4C5CC(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C(=O)O)(C)C)C

Isomeric SMILES

CC(CC(=O)O)CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@@H]5CC(CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C(=O)O)(C)C)C

InChI

InChI=1S/C36H58O6/c1-22(19-28(37)38)20-29(39)42-27-12-13-33(6)25(32(27,4)5)11-14-35(8)26(33)10-9-23-24-21-31(2,3)15-17-36(24,30(40)41)18-16-34(23,35)7/h22-27H,9-21H2,1-8H3,(H,37,38)(H,40,41)/t22?,23-,24+,25+,26-,27+,33+,34-,35-,36+/m1/s1