(3S,3aS,8S,9S,9aS,9bS)-3,6,9-trimethyl-9-oxidanyl-8-phenylselanyl-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

Systemtic Name: (3S,3aS,8S,9S,9aS,9bS)-3,6,9-trimethyl-9-oxidanyl-8-phenylselanyl-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one Openeye Name: (3S,3aS,8S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-8-phenylselanyl-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one CAS Name: (3S,3aS,8S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-8-(phenylseleno)-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one IUPAC Name: (3S,3aS,8S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-8-phenylselanyl-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one Traditional Name: (3S,3aS,8S,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-8-(phenylseleno)-3,3a,4,5,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one Formula: C21H26O3Se MolecularWeight: 405.38934

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC(=C3CC(C(C3C2OC1=O)(C)O)[Se]C4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1[C@@H]2CCC(=C3C[C@@H]([C@@]([C@@H]3[C@H]2OC1=O)(C)O)[Se]C4=CC=CC=C4)C

InChI

InChI=1S/C21H26O3Se/c1-12-9-10-15-13(2)20(22)24-19(15)18-16(12)11-17(21(18,3)23)25-14-7-5-4-6-8-14/h4-8,13,15,17-19,23H,9-11H2,1-3H3/t13-,15-,17-,18-,19-,21+/m0/s1