7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone

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For Research Use Only.

Category

Sesquiterpenoids

Cat.No.

NP5890

CAS

80514-14-3

Product Name

7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone

Structure

Product Details

Description

7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone is a sesquiterpenoid isolated from the flowerbuds of Tussilago farfara with an inhibitory effect on diacylglycerol acyltransferase.

Synonyms

[(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate

IUPAC Name

[(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate

Molecular Weight

430.585

Molecular Formula

C26H38O5

Canonical SMILES

CCC(C)C(=O)OC1C2C(C(CC(C2=C)OC(=O)C=C(C)CC)C(C)C)C(=CC)C1=O

InChI

InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11-/t16?,19-,20+,22-,23-,25-/m0/s1

InChIKey

XTQQLVJPORCMAK-NMNXYZJCSA-N

Purity

95.0%

Appearance

Oil

Form

Oil

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