5,9b-Dihydroxy-6,6,9a-trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one
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Basic information
- CAS
16772-63-7- Standard SMILES
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1C(=O)OC[C@@]12O- InChIKey
HLEGAPKZEJEXHT-FDRIWYBQSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.337 g/mol
- Monoisotopic mass
- 266.15180918
Names & identifiers
- Preferred name
- 5,9b-Dihydroxy-6,6,9a-trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one
- IUPAC
- (5R,5aS,9aS,9bS)-5,9b-Dihydroxy-6,6,9a-trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one
- English name
- pereniporin B
- Molecular formula
- C15H22O4
- Molecular weight
- 266.33
Names & synonyms
pereniporin B(5R)-5,5aα,6,7,8,9,9a,9b-Octahydro-5β,9bα-dihydroxy-6,6,9aβ-trimethylnaphtho[1,2-c]furan-3(1H)-oneNaphtho[1,2-c]furan-3(1H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-5,9b-dihydroxy-6,6,9a-trimethyl-, (5R,5aS,9aS,9bS)-
Database identifiers
- CAS
16772-63-7- PubChem CID
- 161192
- DTXSID
DTXSID80937380- ChEMBL
CHEMBL256709- Nikkaji
- J128.645E
Properties
Physicochemical properties
- Melting point
- 178 · 178-179 °C
- Boiling point
- 463 · 463.0±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 11.98 · 11.98±0.70(Predicted)
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Compound notes
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