(4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butanoyl)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

Systemtic Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butanoyl)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 Openeye Name: (4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-10-(4-hydroxy-3,3-dimethyl-4-oxo-butanoyl)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-(4-hydroxy-3,3-dimethyl-1,4-dioxobutoxy)-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-(4-hydroxy-3,3-dimethyl-4-oxobutanoyl)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-(4-hydroxy-4-keto-3,3-dimethyl-butanoyl)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:

CC1(CCC2(CCC3(C(C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)CC(C)(C)C(=O)O)C)C)C)C(=O)O)C

Isomeric SMILES

C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC(C)(C)C(=O)O)C)C)(C)C)C(=O)O

InChI

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