11,13-Dihydroivalin

For Research Use Only.
Category
Sesquiterpene
Cat.No.
NP5631
CAS
150150-61-1
Product Name
11,13-Dihydroivalin
Structure

Product Details

Description
11,13-Dihydroivalin is isolated from Blumea balsamifera.
Synonyms
(3S,3aR,4aS,7S,8aR,9aR)-7-hydroxy-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
IUPAC Name
(3S,3aR,4aS,7S,8aR,9aR)-7-hydroxy-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Molecular Weight
250.338
Molecular Formula
C15H22O3
Canonical SMILES
CC1C2CC3C(=C)CC(CC3(CC2OC1=O)C)O
InChI
InChI=1S/C15H22O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h9-13,16H,1,4-7H2,2-3H3/t9-,10-,11+,12-,13+,15+/m0/s1
InChIKey
FPEGOJNBPHXMRU-GGZSWOCBSA-N
Boiling Point
404.6±45.0 °C(Predicted)
Density
1.14±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
14.94±0.60(Predicted)
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