Spiro[benzofuran-2(3H),1a(2)-[2]cyclohexene]-3,4a(2)-dione, 7-chloro-6a(2)-(hydroxymethyl)-2a(2),4,6-trimethoxy-, (2S-trans)-

HCID 165367286

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Basic information

CAS: 41937-18-2
Standard SMILES: COC1=CC(=O)C[C@@H](CO)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O
InChIKey: CZZNUTRETRDRQG-QPFGOUBPSA-N
Molecular formula: C17H17ClO7
Average molar mass: 368.8 g/mol
Monoisotopic mass: 368.0662806

Names & identifiers

Preferred name: Spiro[benzofuran-2(3H),1a(2)-[2]cyclohexene]-3,4a(2)-dione, 7-chloro-6a(2)-(hydroxymethyl)-2a(2),4,6-trimethoxy-, (2S-trans)-
IUPAC: (2S,5'S)-7-chloro-5'-(hydroxymethyl)-3',4,6-trimethoxyspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione

Names & synonyms

DTXSID40110714241937-18-2Spiro[benzofuran-2(3H),1a(2)-[2]cyclohexene]-3,4a(2)-dione, 7-chloro-6a(2)-(hydroxymethyl)-2a(2),4,6-trimethoxy-, (2S-trans)-

Database identifiers

CAS: 41937-18-2
PubChem CID: 165367286
DTXSID: DTXSID401107142

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 91.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 592

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