2,3-O-Isopropylidenyl euscaphic acid

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6893

CAS

220880-90-0

Product Name

2,3-O-Isopropylidenyl euscaphic acid

Structure

Product Details

Description

2,3-O-Isopropylidenyl euscaphic acid is a natural compound with anti-inflammatory attributes aiding in studying manifestations linked to inflammatory conditions.

Synonyms

Urs-12-en-28-oic acid, 19-hydroxy-2,3-[(1-methylethylidene)bis(oxy)]-, (2α,3α)-;Euscaphic acid acetonide

IUPAC Name

(1R,2S,5S,8R,9R,10S,14R,15R,17R,21S,23R)-9-hydroxy-1,2,8,9,15,19,19,22,22-nonamethyl-18,20-dioxahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacos-11-ene-5-carboxylic acid

Molecular Weight

528.77

Molecular Formula

C33H52O5

Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC6C(C5(C)C)OC(O6)(C)C)C)C)C2C1(C)O)C)C(=O)O

InChI

InChI=1S/C33H52O5/c1-19-12-15-33(26(34)35)17-16-30(7)20(24(33)32(19,9)36)10-11-23-29(6)18-21-25(38-28(4,5)37-21)27(2,3)22(29)13-14-31(23,30)8/h10,19,21-25,36H,11-18H2,1-9H3,(H,34,35)/t19-,21-,22+,23-,24-,25-,29+,30-,31-,32-,33+/m1/s1

InChIKey

UKGZFGGRLJUNFM-LIOKCZDNSA-N

Boiling Point

606.1±55.0 °C(Predicted)

Density

1.15±0.1 g/cm3(Predicted)

pKa

4.48±0.70(Predicted)

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