(4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-10,11-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Systemtic Name: (4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-10,11-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (4aS,6aS,6aS,6bR,10R,11R,12aS,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9-hexamethyl-12a-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C30H48O5 MolecularWeight: 488.69912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)CO

InChI

InChI=1S/C30H48O5/c1-25(2)11-13-29(24(34)35)14-12-27(5)18(19(29)15-25)7-8-22-28(27,6)10-9-21-26(3,4)23(33)20(32)16-30(21,22)17-31/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21?,22+,23+,27-,28-,29+,30-/m1/s1