8α-Tigloyloxyhirsutinolide 13-O-acetate

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For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5721

CAS

83182-58-5

Product Name

8α-Tigloyloxyhirsutinolide 13-O-acetate

Structure

Product Details

Description

8α-Tigloyloxyhirsutinolide 13-O-acetate is isolated from Vernonia cinerea and exhibits inhibitory effects on CYP2A6, MAO-A and MAO-B enzymes.

Synonyms

2-Butenoic acid, 2-methyl-, (4S,6R,7S,10R,11E)-3-[(acetyloxy)methyl]-2,4,5,6,7,8,9,10-octahydro-7-hydroxy-6,10-dimethyl-2-oxo-7,10-epoxycyclodeca[b]furan-4-yl ester, (2E)-;8α-Tigloyloxyhirsutinolide13-O-acetate

Molecular Weight

420.458

Molecular Formula

C22H28O8

Canonical SMILES

CC=C(C)C(=O)OC1CC(C2(CCC(O2)(C=C3C1=C(C(=O)O3)COC(=O)C)C)O)C

InChI

InChI=1S/C22H28O8/c1-6-12(2)19(24)28-16-9-13(3)22(26)8-7-21(5,30-22)10-17-18(16)15(20(25)29-17)11-27-14(4)23/h6,10,13,16,26H,7-9,11H2,1-5H3/b12-6+,17-10+/t13-,16+,21-,22+/m1/s1

InChIKey

NPUVRWFJDAPMIA-BDPKFFACSA-N

Boiling Point

589.6±50.0 °C(Predicted)

Density

1.28±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

12.51±0.70(Predicted)

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