5-(Furan-3-yl)-2-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro(furan-3,6'-naphtho(1,8-bc)furan)-2'(4'H)-one

HCID 178304

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Basic information

CAS: 136235-35-3
Standard SMILES: CC1CC2OC(=O)C3=C2C(CCC3)C12CC(c1ccoc1)OC2O
InChIKey: UUKKEAFOECOLNR-UHFFFAOYSA-N
Molecular formula: C19H22O5
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.1467238

Names & identifiers

Preferred name: 5-(Furan-3-yl)-2-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro(furan-3,6'-naphtho(1,8-bc)furan)-2'(4'H)-one
IUPAC: 5'-(furan-3-yl)-2'-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-3-one

Names & synonyms

136235-35-35-(Furan-3-yl)-2-hydroxy-7'-methyl-3',4,5,5',5a',7',8',8a'-octahydrospiro(furan-3,6'-naphtho(1,8-bc)furan)-2'(4'H)-oneDTXSID901099336Spiro[furan-3(2H),6a(2)-[6H]naphtho[1,8-bc]furan]-2a(2)(4a(2)H)-one, 5-(3-furanyl)-3a(2),4,5,5a(2),5a(2)a,7a(2),8a(2),8a(2)a-octahydro-2-hydroxy-7a(2)-methyl-, [5a(2)aS-[5a(2)aI+/-,6a(2)I(2)(2R*,5R*),7a(2)I(2),8a(2)aI+/-]]-

Database identifiers

CAS: 136235-35-3
PubChem CID: 178304
DTXSID: DTXSID901099336

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 68.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 24
Formal charge: 0
Complexity: 599

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