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About This Item
Empirical Formula (Hill Notation):
C9H10O
CAS Number:
Molecular Weight:
134.18
UNSPSC Code:
12352000
Beilstein/REAXYS Number:
2206709
MDL number:
grade
puriss.
assay
≥99.0% (sum of enantiomers, GC)
optical activity
[α]20/D +31±2°, c = 1% in chloroform
optical purity
enantiomeric ratio: ≥98:2 (NMR)
mp
69-73 °C
storage temp.
2-8°C
SMILES string
O[C@H]1CCc2ccccc12
InChI
1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1
InChI key
YIAPLDFPUUJILH-VIFPVBQESA-N
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Ingo Bichlmaier et al.
Journal of medicinal chemistry, 49(5), 1818-1827 (2006-03-03)
A set of 28 enantiomers comprising rigid and flexible secondary alcohols was synthesized by the asymmetric Corey-Bakshi-Shibata reduction. The enantiomerically pure alcohols were subjected to enzymatic glucuronidation assays employing the human UDP-glucuronosyltransferases (UGTs) 2B7 and 2B17. Both UGTs displayed high
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