4,5-Dihydroblumenol A

For Research Use Only.
Category
Sesquiterpene
Cat.No.
NP5710
CAS
155418-97-6
Product Name
4,5-Dihydroblumenol A
Structure

Product Details

Description
4,5-Dihydroblumenol A isolated from the herbs of Rosa multiflora Thunb.
Synonyms
(4S,5R)-4-Hydroxy-4-[(1E,3R)-3-hydroxy-1-buten-1-yl]-3,3,5-trimet hylcyclohexanone
IUPAC Name
(4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
Molecular Weight
226.3
Molecular Formula
C13H22O3
Canonical SMILES
CC1CC(=O)CC(C1(C=CC(C)O)O)(C)C
InChI
InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-10,14,16H,7-8H2,1-4H3/b6-5+/t9-,10-,13-/m1/s1
InChIKey
IHDJYDVWNNFPHR-CHESLIBASA-N
Boiling Point
345.7±42.0 °C(Predicted)
Purity
> 95%
Density
1.093±0.06 g/cm3(Predicted)
Appearance
Powder
pKa
13.85±0.60(Predicted)
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