Esculentic acid

Inquiry

For Research Use Only.

Size	Price	Stock	Quantity
5 mg	$998	In stock

Category

Terpenes

Cat.No.

NP6746

CAS

103974-74-9

Product Name

Esculentic acid

Structure

Product Details

Description

Esculentic acid has been isolated from the roots of Phytolacca acinosa Roxb. It has protective effects against LPS-induced endotoxic shock. Esculentic acid is a selective COX-2 inhibitor and has anti-inflammatory effect.

Synonyms

(2α,3α)-2,3,23-Trihydroxyurs-12-en-28-oic acid

IUPAC Name

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

Molecular Weight

488.71

Molecular Formula

C30H48O5

Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O

InChI

InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1

InChIKey

JXSVIVRDWWRQRT-SVOQGVCWSA-N

Boiling Point

609.4±55.0 °C (Predicted)

Melting Point

270-272 °C

Purity

95%

Density

1.18±0.1 g/cm3 (Predicted)

Appearance

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