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

Systemtic Name: (3aS,4S,5R,6aS)-2-methylidene-5-oxidanyl-4-[(E,3S)-3-oxidanyl-5-phenoxy-pent-1-enyl]-3,3a,4,5,6,6a-hexahydropentalen-1-one Openeye Name: (3aS,4S,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-5-phenoxy-pent-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-phenoxypent-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-phenoxypent-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-phenoxy-pent-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CC2C(C1=O)CC(C2C=CC(CCOC3=CC=CC=C3)O)O

Isomeric SMILES

C=C1C[C@@H]2[C@@H](C1=O)C[C@H]([C@H]2/C=C/[C@H](CCOC3=CC=CC=C3)O)O

InChI

InChI=1S/C20H24O4/c1-13-11-17-16(19(22)12-18(17)20(13)23)8-7-14(21)9-10-24-15-5-3-2-4-6-15/h2-8,14,16-19,21-22H,1,9-12H2/b8-7+/t14-,16+,17+,18+,19-/m1/s1