(4aS,5R,6R)-1,1,4a,6-tetramethyl-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: (4aS,5R,6R)-1,1,4a,6-tetramethyl-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: (4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyl-trideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-decalin-2-one CAS Name: (4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydronaphthalen-2-one IUPAC Name: (4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydronaphthalen-2-one Traditional Name: (4aS,5R,6R)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyl-trideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-decalin-2-one Formula: C30H50O3 MolecularWeight: 458.7162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1C2(CCC(=O)C(C2CCC1(C)O)(C)C)C)CCC=C(C)CCC=C(C)CO

Isomeric SMILES

C/C(=C\CC[C@@H]1[C@]2(CCC(=O)C(C2CC[C@@]1(C)O)(C)C)C)/CC/C=C(\C)/CC/C=C(\C)/CO

InChI

InChI=1S/C30H50O3/c1-22(13-9-15-24(3)21-31)11-8-12-23(2)14-10-16-26-29(6)19-18-27(32)28(4,5)25(29)17-20-30(26,7)33/h11,14-15,25-26,31,33H,8-10,12-13,16-21H2,1-7H3/b22-11+,23-14+,24-15+/t25?,26-,29+,30-/m1/s1