(4R,4aS,5R,6R)-1,1,4,4a,6-pentamethyl-6-oxidanyl-5-[(3E,7E,11E)-4,8,12-trimethyl-13-oxidanyl-trideca-3,7,11-trienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one

Systemtic Name: (4R,4aS,5R,6R)-1,1,4,4a,6-pentamethyl-6-oxidanyl-5-[(3E,7E,11E)-4,8,12-trimethyl-13-oxidanyl-trideca-3,7,11-trienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one Openeye Name: (4R,4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyl-trideca-3,7,11-trienyl]-1,1,4,4a,6-pentamethyl-decalin-2-one CAS Name: (4R,4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,1,4,4a,6-pentamethyl-3,4,5,7,8,8a-hexahydronaphthalen-2-one IUPAC Name: (4R,4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,1,4,4a,6-pentamethyl-3,4,5,7,8,8a-hexahydronaphthalen-2-one Traditional Name: (4R,4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyl-trideca-3,7,11-trienyl]-1,1,4,4a,6-pentamethyl-decalin-2-one Formula: C31H52O3 MolecularWeight: 472.74278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C2C1(C(C(CC2)(C)O)CCC=C(C)CCC=C(C)CCC=C(C)CO)C)(C)C

Isomeric SMILES

C[C@@H]1CC(=O)C(C2[C@]1([C@H]([C@](CC2)(C)O)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CO)C)(C)C

InChI

InChI=1S/C31H52O3/c1-22(14-10-16-24(3)21-32)12-9-13-23(2)15-11-17-27-30(7,34)19-18-26-29(5,6)28(33)20-25(4)31(26,27)8/h12,15-16,25-27,32,34H,9-11,13-14,17-21H2,1-8H3/b22-12+,23-15+,24-16+/t25-,26?,27+,30-,31+/m1/s1