(2S,3R,4S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-2,3,8-tris(oxidanyl)-7-oxidanylidene-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Systemtic Name: (2S,3R,4S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-4,6a,6b,11,11,14b-hexamethyl-2,3,8-tris(oxidanyl)-7-oxidanylidene-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid Openeye Name: (2S,3R,4S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-7-oxo-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid CAS Name: (2S,3R,4S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-7-oxo-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid IUPAC Name: (2S,3R,4S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-7-oxo-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid Traditional Name: (2S,3R,4S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-2,3,8-trihydroxy-7-keto-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,8,8a,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid Formula: C29H44O6 MolecularWeight: 488.65606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1)C3=CCC4C(C3(C(=O)C2O)C)(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C

Isomeric SMILES

C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(C(=O)[C@@H]([C@@H]5[C@H]4CC(CC5)(C)C)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C

InChI

InChI=1S/C29H44O6/c1-25(2)11-9-15-16(13-25)17-7-8-19-26(3)14-18(30)22(32)28(5,24(34)35)20(26)10-12-27(19,4)29(17,6)23(33)21(15)31/h7,15-16,18-22,30-32H,8-14H2,1-6H3,(H,34,35)/t15-,16+,18-,19+,20?,21+,22-,26+,27+,28-,29-/m0/s1