Pterisolic acid C

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1635
CAS
1401419-87-1
Product Name
Pterisolic acid C
Structure

Product Details

Description
Pterisolic acid C is a natural diterpenoid found in the herbs of Pteris semipinnata.
Synonyms
(4alpha)-13-Hydroxy-15-oxokaura-9(11),16-dien-18-oic acid
IUPAC Name
(1R,4S,5R,9R,13S)-13-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Weight
330.4
Molecular Formula
C20H26O4
Canonical SMILES
CC12CCCC(C1CCC34C2=CCC(C3)(C(=C)C4=O)O)(C)C(=O)O
InChI
InChI=1S/C20H26O4/c1-12-15(21)19-9-5-13-17(2,7-4-8-18(13,3)16(22)23)14(19)6-10-20(12,24)11-19/h6,13,24H,1,4-5,7-11H2,2-3H3,(H,22,23)/t13-,17+,18+,19+,20-/m0/s1
InChIKey
MOEGAVNUGPZNDZ-OBHGLWADSA-N
Boiling Point
535.2±50.0 °C(Predicted)
Purity
>98%
Density
1.26±0.1 g/cm3(Predicted)
Appearance
Powder
Form
Powder
Packaging
1 mg
pKa
4.60±0.60(Predicted)
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