11R,12-Dihydroxyspirovetiv-1(10)-en-2-one

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5709

CAS

62574-30-5

Product Name

11R,12-Dihydroxyspirovetiv-1(10)-en-2-one

Structure

Description

11R,12-Dihydroxyspirovetiv-1(10)-en-2-one is a natural sesquiterpenoid found in the herbs of Datura metel.

Synonyms

[2R-[2alpha(R*),5alpha(R*)]]-2-(1,2-Dihydroxy-1-methylethyl)-6,10-dimethylspiro[4.5]dec-6-en-8-one

IUPAC Name

(3R,5S,6R)-3-[(2R)-1,2-dihydroxypropan-2-yl]-6,10-dimethylspiro[4.5]dec-9-en-8-one

Molecular Weight

252.35

Molecular Formula

C15H24O3

Canonical SMILES

CC1CC(=O)C=C(C12CCC(C2)C(C)(CO)O)C

InChI

InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3/t11-,12-,14+,15-/m1/s1

Boiling Point

426.2±28.0 °C(Predicted)

Purity

>95%

Density

1.11±0.1 g/cm3(Predicted)

Appearance

Oil

pKa

14.28±0.29(Predicted)

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