12α-Hydroxygrandiflorenic acid

For Research Use Only.
Category
Terpenes
Cat.No.
NP1740
CAS
63768-17-2
Product Name
12α-Hydroxygrandiflorenic acid
Structure

Product Details

Description
12α-Hydroxygrandiflorenic acid is a diterpenoid compound found in the herbs of Wedelia trilobata.
Synonyms
12alpha-Hydroxykaura-9(11),16-dien-18-oic acid;12alpha-Hydroxygrandiflorenic acid
IUPAC Name
(1S,4S,5R,9R,12S,13R)-12-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Weight
316.4
Molecular Formula
C20H28O3
Canonical SMILES
CC12CCCC(C1CCC34C2=CC(C(C3)C(=C)C4)O)(C)C(=O)O
InChI
InChI=1S/C20H28O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)9-14(21)13(12)11-20/h9,13-15,21H,1,4-8,10-11H2,2-3H3,(H,22,23)/t13-,14+,15+,18-,19-,20-/m1/s1
InChIKey
YKLRBAUBANVECM-SUIOEDAWSA-N
Boiling Point
495.2±45.0 °C(Predicted)
Purity
>97%
Density
1.19±0.1 g/cm3(Predicted)
Appearance
Powder
Color
Yellow
Form
Powder
Packaging
5 mg
pKa
4.65±0.60(Predicted)
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