3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid

For Research Use Only.
Category
Terpenes
Cat.No.
NP6668
CAS
261768-88-1
Product Name
3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
Structure

Product Details

Description
3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid is a natural triterpenoid isolated from the herbs of Uncaria sessilifructus.
Synonyms
3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
IUPAC Name
(1R,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-8-oxo-3,4,5,6,6a,7,8a,10,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid
Molecular Weight
500.7
Molecular Formula
C30H44O6
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(CCC(C5(C)C=O)O)C)C)C2C1(C)O)C)C(=O)O
InChI
InChI=1S/C30H44O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,16-17,20-23,33,36H,8-15H2,1-6H3,(H,34,35)/t17-,20-,21+,22-,23-,25-,26-,27-,28-,29-,30+/m1/s1
Boiling Point
646.2±55.0 °C(Predicted)
Purity
>90%
Density
1.23±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
4.44±0.70(Predicted)
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