(1S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,10-bis(oxidanyl)-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid

Systemtic Name: (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,10-bis(oxidanyl)-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid Openeye Name: (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylene-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid CAS Name: (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylene-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid IUPAC Name: (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid Traditional Name: (1S,4aR,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-1,10-dihydroxy-1,6a,6b,9,12a-pentamethyl-2-methylene-9-methylol-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-3H-picene-4a-carboxylic acid Formula: C30H46O5 MolecularWeight: 486.68324

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CCC3(C2CC=C4C3(CCC5(C4C(C(=C)CC5)(C)O)C(=O)O)C)C)(C)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,20-23,31-32,35H,1,8-17H2,2-6H3,(H,33,34)/t20-,21-,22-,23-,25+,26-,27-,28-,29-,30+/m1/s1