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About This Item
Empirical Formula (Hill Notation):
C11H14O2
CAS Number:
Molecular Weight:
178.23
UNSPSC Code:
12352115
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2050425
InChI
1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h7H,2-6H2,1H3/t11-/m1/s1
SMILES string
C[C@@]12CCC(=O)C=C1CCCC2=O
InChI key
DNHDRUMZDHWHKG-LLVKDONJSA-N
assay
≥98.0% (sum of enantiomers, GC)
optical activity
[α]20/D −98±2°, c = 1.1% in benzene
mp
49-51 °C
storage temp.
2-8°C
Other Notes
Building block for synthesizing ent-steroids using procedures described for the enantiomer. Synthesis of other chiral natural products
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Regulatory Information
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P.A. Grieco et al.
Journal of the American Chemical Society, 115, 6078-6078 (1993)
M. Kim et al.
The Journal of Organic Chemistry, 53, 93-93 (1988)
K. Kawada et al.
Tetrahedron Letters, 30, 5989-5989 (1989)
N. Harada et al.
Journal of the American Chemical Society, 110, 8483-8483 (1988)
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