Triptocallic acid D

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6859

CAS

201534-09-0

Product Name

Triptocallic acid D

Structure

Product Details

Description

Triptocallic acid D isolated from the herbs of Tripterygium wilfordii.

Synonyms

(3alpha,20alpha,22alpha)-3,22-Dihydroxyolean-12-en-29-oic acid; (3α,22α)-3,22-Dihydroxyolean-12-en-29-oic acid

IUPAC Name

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

Molecular Weight

472.7

Molecular Formula

C30H48O4

Canonical SMILES

CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5O)(C)C(=O)O)C)C)C)C

InChI

InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22+,23-,26-,27+,28-,29+,30+/m0/s1

InChIKey

JTBGJQZJEYVBJZ-SXKKXCELSA-N

Boiling Point

584.1±50.0 °C(Predicted)

Purity

> 95%

Density

1.14±0.1 g/cm3(Predicted)

Appearance

Powder

Definition

ChEBI: A pentacyclic triterpenoid with formula C30H48O4, originally isolated from Tripterygium wilfordii and Tripterygium hypoglaucum.

pKa

4.71±0.70(Predicted)

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