(3aS,4S,5R,6aS)-2-methylidene-4-[(E,3S)-5-methyl-3-oxidanyl-non-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydropentalen-1-one

Systemtic Name: (3aS,4S,5R,6aS)-2-methylidene-4-[(E,3S)-5-methyl-3-oxidanyl-non-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydropentalen-1-one Openeye Name: (3aS,4S,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-5-methyl-non-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one CAS Name: (3aS,4S,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-5-methylnon-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one IUPAC Name: (3aS,4S,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-5-methylnon-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-one Traditional Name: (3aS,4S,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-5-methyl-non-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one Formula: C19H30O3 MolecularWeight: 306.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C=CC1C(CC2C1CC(=C)C2=O)O)O

Isomeric SMILES

CCCCC(C)C[C@@H](/C=C/[C@@H]1[C@@H](C[C@H]2[C@H]1CC(=C)C2=O)O)O

InChI

InChI=1S/C19H30O3/c1-4-5-6-12(2)9-14(20)7-8-15-16-10-13(3)19(22)17(16)11-18(15)21/h7-8,12,14-18,20-21H,3-6,9-11H2,1-2H3/b8-7+/t12?,14-,15+,16+,17+,18-/m1/s1