4,5-Dihydroblumenol A

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5710

CAS

155418-97-6

Product Name

4,5-Dihydroblumenol A

Structure

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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