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

Inquiry

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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