Butanedioic acid, mono(1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-3-yl) ester, (3S-(3alpha,6aalpha,9aalpha))-
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Basic information
- CAS
78261-83-3- Standard SMILES
COc1cc2c(c3oc(=O)c4c(c13)[C@@H](OC(=O)CCC(=O)O)CC4=O)[C@@H]1C=CO[C@@H]1O2- InChIKey
VKKLXWDQQNCHAY-PZLHRIISSA-N- Molecular formula
- C21H16O10
- Average molar mass
- 428.349 g/mol
- Monoisotopic mass
- 428.07434671
Names & identifiers
- Preferred name
- Butanedioic acid, mono(1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-3-yl) ester, (3S-(3alpha,6aalpha,9aalpha))-
- IUPAC
- 4-{[(3S,6aR,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-3-yl]oxy}-4-oxobutanoic acid
Database identifiers
- CAS
78261-83-3- PubChem CID
- 157181
- DTXSID
DTXSID40228923
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