(3S,4S,9bR)-3,6,9-trimethyl-4-oxidanyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione hydrate

Systemtic Name: (3S,4S,9bR)-3,6,9-trimethyl-4-oxidanyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione hydrate Openeye Name: (3S,4S,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione hydrate CAS Name: (3S,4S,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione hydrate IUPAC Name: (3S,4S,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione hydrate Traditional Name: (3S,4S,9bR)-4-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-quinone hydrate Formula: C15H20O5 MolecularWeight: 280.3163

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC(=C3C(C2OC1=O)C(=CC3=O)C)C)O.O

Isomeric SMILES

C[C@H]1C2[C@H](CC(=C3C([C@H]2OC1=O)C(=CC3=O)C)C)O.O

InChI

InChI=1S/C15H18O4.H2O/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12;/h5,8,10,12-14,17H,4H2,1-3H3;1H2/t8-,10-,12?,13?,14+;/m0./s1