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7-[(6-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one

HCID 158698
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Basic information

CAS
84710-32-7
Standard SMILES
COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C
InChIKey
KGVZBKUYBZGQCZ-YMIBRCGYSA-N
Molecular formula
C26H34O6
Average molar mass
442.552 g/mol
Monoisotopic mass
442.23553881

Names & identifiers

Preferred name
7-[(6-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one
IUPAC
7-{[(1R,4aR,6S,8aS)-6-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methoxy}-6,8-dimethoxy-2H-1-benzopyran-2-one
English name
7-[[(1R)-(1,4,4aα,5,6,7,8,8a-Octahydro-6β-hydroxy-2,5,5,8aβ-tetramethylnaphthalen)-1α-yl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one
Molecular formula
C26H34O6
Molecular weight
442.55

Names & synonyms

Drimatrol B7-[[(1R)-(1,4,4aα,5,6,7,8,8a-Octahydro-6β-hydroxy-2,5,5,8aβ-tetramethylnaphthalen)-1α-yl]methoxy]-6,8-dimethoxy-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 6,8-dimethoxy-7-[[(1R,4aR,6S,8aS)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]methoxy]-

Database identifiers

CAS
84710-32-7
PubChem CID
158698
DTXSID
DTXSID001005007
Nikkaji
J257.829H

Properties

Physicochemical properties

Boiling point
586.08 · 586.080±50.00 °C(Press: 760.00 Torr)(predicted)
Density
1.15 · 1.150±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
15.081 · 15.081±0.70(predicted)

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