9H-Xanthen-9-one, 3-(acetyloxy)-4-(4,5-dihydro-3-furanyl)-1,8-dimethoxy-

HCID 147386

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Basic information

CAS: 31490-97-8
Standard SMILES: COc1cccc2oc3c(C4=COCC4)c(OC(C)=O)cc(OC)c3c(=O)c12
InChIKey: XFMUPCOQWIWBIQ-UHFFFAOYSA-N
Molecular formula: C21H18O7
Average molar mass: 382.4 g/mol
Monoisotopic mass: 382.10525291

Names & identifiers

Preferred name: 9H-Xanthen-9-one, 3-(acetyloxy)-4-(4,5-dihydro-3-furanyl)-1,8-dimethoxy-
IUPAC: [4-(2,3-dihydrofuran-4-yl)-1,8-dimethoxy-9-oxoxanthen-3-yl] acetate

Names & synonyms

9H-Xanthen-9-one, 3-(acetyloxy)-4-(4,5-dihydro-3-furanyl)-1,8-dimethoxy-31490-97-83-(Acetyloxy)-4-(4,5-dihydro-3-furanyl)-1,8-dimethoxy-9H-xanthen-9-oneDTXSID301853944-(4,5-DIHYDROFURAN-3-YL)-1,8-DIMETHOXY-9-OXO-9H-XANTHEN-3-YL ACETATE

Database identifiers

CAS: 31490-97-8
PubChem CID: 147386
DTXSID: DTXSID30185394

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 645

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