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

Systemtic Name: (4aS,6aR,6aR,6bR,8aS,12aS,14bS)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (4aS,6aR,6aR,6bR,8aS,12aS,14bS)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (4aS,6aR,6aR,6bR,8aS,12aS,14bS)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (4aS,6aR,6aR,6bR,8aS,12aS,14bS)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (4aS,6aR,6aR,6bR,8aS,12aS,14bS)-2,2,6b,9,9,12a-hexamethyl-6a-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C30H48O3 MolecularWeight: 456.70032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCC5(C)C)C)C)C2C1)CO)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H48O3/c1-25(2)14-15-29(24(32)33)16-17-30(19-31)20(21(29)18-25)8-9-23-27(5)12-7-11-26(3,4)22(27)10-13-28(23,30)6/h8,21-23,31H,7,9-19H2,1-6H3,(H,32,33)/t21-,22-,23+,27-,28+,29-,30-/m0/s1