11,13-Dihydroivalin

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5631

CAS

150150-61-1

Product Name

11,13-Dihydroivalin

Structure

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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