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

Systemtic Name: (1S,4aR,6aR,6aS,6bR,8R,9R,10S,12aR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,8,10-tris(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Openeye Name: (1S,4aR,6aR,6aS,6bR,8R,9R,10S,12aR)-1,8,10-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid CAS Name: (1S,4aR,6aR,6aS,6bR,8R,9R,10S,12aR)-1,8,10-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid IUPAC Name: (1S,4aR,6aR,6aS,6bR,8R,9R,10S,12aR)-1,8,10-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Traditional Name: (1S,4aR,6aR,6aS,6bR,8R,9R,10S,12aR)-1,8,10-trihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Formula: C30H48O6 MolecularWeight: 504.69852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(C5(C)CO)O)C)O)C)C2C1O)C)C(=O)O)C

Isomeric SMILES

C[C@]12CC[C@@H]([C@@](C1[C@@H](C[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5(C4[C@@H](C(CC5)(C)C)O)C(=O)O)C)C)O)(C)CO)O

InChI

InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-19-26(3)10-9-20(33)27(4,16-31)22(26)18(32)15-29(19,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21?,22?,23+,26-,27-,28-,29-,30+/m1/s1