ent-3β-Hydroxykaur-16-en-19-oic acid

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1731
CAS
66556-91-0
Product Name
ent-3β-Hydroxykaur-16-en-19-oic acid
Structure

Product Details

Description
ent-3β-Hydroxykaur-16-en-19-oic acid is isolated from the herbs of Wedelia trilobata.
Synonyms
(3alpha,4alpha)-3-Hydroxykaur-16-en-18-oic acid;ent-3beta-Hydroxykaur-16-en-19-oic acid;Kaur-16-en-18-oic acid, 3-hydroxy-, (3α,4α)-;(3R,4S,4aS,6aS,9R,11aR,11bS)-3-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanolocyclohepta[a]naphthalene-4-carboxylicaci;ent-3β-Hydroxykaur-16-en-19-oic acid
IUPAC Name
(1S,4S,5S,6R,9S,10R,13R)-6-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Weight
318.5
Molecular Formula
C20H30O3
Canonical SMILES
CC12CCC(C(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O)O
InChI
InChI=1S/C20H30O3/c1-12-10-20-9-6-14-18(2,15(20)5-4-13(12)11-20)8-7-16(21)19(14,3)17(22)23/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16-,18-,19+,20-/m1/s1
InChIKey
KCJVDDSMQGJVAF-AZFOIECZSA-N
Boiling Point
467.4±45.0 °C(Predicted)
Purity
97.5%
Density
1.16±0.1 g/cm3(Predicted)
Appearance
Powder
Color
Yellow
Form
Powder
Packaging
5 mg
pKa
4.50±0.60(Predicted)
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