(2S,6S,8aS)-2-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(E,2R)-5-methylhex-3-en-2-yl]cyclopentyl]-8a-methyl-6-oxidanyl-2,3,5,6,7,8-hexahydronaphthalen-1-one

Systemtic Name: (2S,6S,8aS)-2-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(E,2R)-5-methylhex-3-en-2-yl]cyclopentyl]-8a-methyl-6-oxidanyl-2,3,5,6,7,8-hexahydronaphthalen-1-one Openeye Name: (2S,6S,8aS)-2-[(1S,2R,3R)-3-[(E,1R)-1,4-dimethylpent-2-enyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one CAS Name: (2S,6S,8aS)-6-hydroxy-2-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(E,2R)-5-methylhex-3-en-2-yl]cyclopentyl]-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one IUPAC Name: (2S,6S,8aS)-6-hydroxy-2-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(E,2R)-5-methylhex-3-en-2-yl]cyclopentyl]-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one Traditional Name: (2S,6S,8aS)-2-[(1S,2R,3R)-3-[(E,1R)-1,4-dimethylpent-2-enyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(C)C1CCC(C1(C)CCO)C2CC=C3CC(CCC3(C2=O)C)O

Isomeric SMILES

C[C@H](/C=C/C(C)C)[C@H]1CC[C@H]([C@]1(C)CCO)[C@@H]2CC=C3C[C@H](CC[C@@]3(C2=O)C)O

InChI

InChI=1S/C26H42O3/c1-17(2)6-7-18(3)22-10-11-23(26(22,5)14-15-27)21-9-8-19-16-20(28)12-13-25(19,4)24(21)29/h6-8,17-18,20-23,27-28H,9-16H2,1-5H3/b7-6+/t18-,20+,21+,22-,23+,25+,26-/m1/s1