8α-(2-Methylacryloyloxy)-1-O-methylhirsutinolide 13-O-acetate

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For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5654

CAS

883872-71-7

Product Name

8α-(2-Methylacryloyloxy)-1-O-methylhirsutinolide 13-O-acetate

Structure

Product Details

Description

8α-(2-Methylacryloyloxy)-1-O-methylhirsutinolide 13-O-acetate is isolated from Vernonia cinerea.

Synonyms

8alpha-(2-Methylacryloyloxy)-1-O-methylhirsutinolide 13-O-acetate;2-Propenoic acid, 2-methyl-, (4S,6R,7S,10R)-3-[(acetyloxy)methyl]-2,4,5,6,7,8,9,10-octahydro-7-methoxy-6,10-dimethyl-2-oxo-7,10-epoxy(11E)-cyclodeca[b]furan-4-yl ester;8α-(2-Methylacryloyloxy)-1-O-methylhirsutinolide 13-O-acetate;8α-(2-Methylacryloyloxy)-1α-methoxyhirsutinolide-13-O-acetate

IUPAC Name

[6-(acetyloxymethyl)-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] 2-methylprop-2-enoate

Molecular Weight

420.458

Molecular Formula

C22H28O8

Canonical SMILES

CC1CC(C2=C(C(=O)OC2=CC3(CCC1(O3)OC)C)COC(=O)C)OC(=O)C(=C)C

InChI

InChI=1S/C22H28O8/c1-12(2)19(24)28-16-9-13(3)22(26-6)8-7-21(5,30-22)10-17-18(16)15(20(25)29-17)11-27-14(4)23/h10,13,16H,1,7-9,11H2,2-6H3/b17-10+/t13-,16+,21-,22+/m1/s1

InChIKey

YWFWDFNNMSZVOA-JXRWWANWSA-N

Boiling Point

556.6±50.0 °C(Predicted)

Purity

96.5%

Density

1.24±0.1 g/cm3(Predicted)

Appearance

Powder

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