4E-Deacetylchromolaenide 4'-O-acetate

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For Research Use Only.

Category

Sesquiterpenoids

Cat.No.

NP5975

CAS

104736-09-6

Product Name

4E-Deacetylchromolaenide 4'-O-acetate

Structure

Product Details

Description

4E-Deacetylchromolaenide 4'-O-acetate is isolated from Chromolaena glaberrima.

Synonyms

[(3aR,4R,6Z,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-acetyloxy-2-methylbut-2-enoate

IUPAC Name

(9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-methylbut-2-enoate

Molecular Weight

404.459

Molecular Formula

C22H28O7

Canonical SMILES

CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCOC(=O)C)C)C(=C)C(=O)O2)C)O

InChI

InChI=1S/C22H28O7/c1-12-6-7-17(24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-27-16(5)23/h6,8,11,17-20,24H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11+/t17-,18+,19+,20+/m0/s1

InChIKey

DULROFCOEMAPJD-QDPYXRKDSA-N

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