Pyrocincholic acid methyl ester

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6902

CAS

107160-24-7

Product Name

Pyrocincholic acid methyl ester

Structure

Product Details

Description

Pyrocincholic acid methyl ester is a remarkably formidable constituent derived from natural origins, aiding in studying afflictions of inflammatory nature like arthritand asthma.

Synonyms

Pyrocincholic acid methyl ester; 107160-24-7; methyl (4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate; ZINC96023814; AKOS032962386

IUPAC Name

methyl (4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate

Molecular Weight

456.7

Molecular Formula

C30H48O3

Canonical SMILES

CC1(CCC2(CCC3=C(C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C(=O)OC)C

InChI

InChI=1S/C30H48O3/c1-26(2)16-17-30(25(32)33-7)15-10-20-19(21(30)18-26)8-9-23-28(20,5)13-11-22-27(3,4)24(31)12-14-29(22,23)6/h21-24,31H,8-18H2,1-7H3/t21-,22-,23-,24-,28-,29-,30+/m0/s1

Boiling Point

523.4±50.0 °C(Predicted)

Density

1.07±0.1 g/cm3(Predicted)

pKa

15.16±0.70(Predicted)

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