(3S,4S,6aR,6bS,8aR,12S,14aR,14bR)-8a-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-3-oxidanyl-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid

Systemtic Name: (3S,4S,6aR,6bS,8aR,12S,14aR,14bR)-8a-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-3-oxidanyl-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid Openeye Name: (3S,4S,6aR,6bS,8aR,12S,14aR,14bR)-3-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid CAS Name: (3S,4S,6aR,6bS,8aR,12S,14aR,14bR)-3-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid IUPAC Name: (3S,4S,6aR,6bS,8aR,12S,14aR,14bR)-3-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid Traditional Name: (3S,4S,6aR,6bS,8aR,12S,14aR,14bR)-3-hydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-methylol-2,3,4a,5,6,7,8,9,12,12a,14,14a-dodecahydro-1H-picene-4-carboxylic acid Formula: C30H46O4 MolecularWeight: 470.68384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)CO)C)C)(C)C(=O)O)O)C

Isomeric SMILES

C[C@H]1C2C3=CC[C@@H]4[C@]5(CC[C@@H]([C@@](C5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)CO)C)C)(C)C(=O)O)O)C

InChI

InChI=1S/C30H46O4/c1-18-9-14-30(17-31)16-15-27(4)20(24(30)19(18)2)7-8-21-26(3)12-11-23(32)29(6,25(33)34)22(26)10-13-28(21,27)5/h7,9,19,21-24,31-32H,8,10-17H2,1-6H3,(H,33,34)/t19-,21-,22?,23+,24?,26-,27-,28-,29+,30-/m1/s1