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(2R,5S,7'R)-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 178302
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
136176-66-4
Standard SMILES
C[C@@H]1CC2OC(=O)C3=C2C(CCC3)C12C[C@@H](c1ccoc1)O[C@H]2O
InChIKey
UUKKEAFOECOLNR-COYGVGIDSA-N
Molecular formula
C19H22O5
Average molar mass
330.4 g/mol
Monoisotopic mass
330.1467238

Names & identifiers

Preferred name
(2R,5S,7'R)-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
(2'R,5'S,10R)-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

136176-66-4(2R,5S,7'R)-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)-oneDTXSID80929285(2'R,5'S,7R)-5'-(Furan-3-yl)-2'-hydroxy-7-methyl-3,5,5a,7,8,8a-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolan]-2(4H)-one5'-(Furan-3-yl)-2'-hydroxy-7-methyl-3,5,5a,7,8,8a-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolan]-2(4H)-one

Database identifiers

CAS
136176-66-4
PubChem CID
178302
DTXSID
DTXSID80929285

Properties

Computed structural properties

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

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Compound notes

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