1β-Hydroxyeuscaphic acid

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6505

CAS

120211-98-5

Product Name

1β-Hydroxyeuscaphic acid

Structure

Product Details

Description

1β-Hydroxyeuscaphic acid isolated from the herbs of Agrimonia pilosa.

Synonyms

(1R,2R,4aS,6aS,6bR,8aS,10S,11S,12S,12aR,12bS,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid

IUPAC Name

(1R,2R,4aS,6aS,6aS,6bR,10S,11S,12S,12aR,14bR)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Molecular Weight

504.7

Molecular Formula

C30H48O6

Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(C(C(C5(C)C)O)O)O)C)C)C2C1(C)O)C)C(=O)O

InChI

InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19+,20+,21+,22-,23-,26-,27-,28+,29-,30+/m1/s1

InChIKey

VULLSLYDWNGNKZ-JLEXXDIYSA-N

Boiling Point

619.1±55.0 °C(Predicted)

Purity

0.97

Density

1.2±0.1 g/cm3

Appearance

Powder

Application

hepatoprotective activity; antimicrobial; antioxidant;

pKa

4.45±0.70(Predicted)

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