Bakkenolide IIIa

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For Research Use Only.

Category

Sesquiterpenoids

Cat.No.

NP5806

CAS

915289-60-0

Product Name

Bakkenolide IIIa

Structure

Product Details

Description

Bakkenolide IIIa is extracted from the rhizomes of Petasites formosanus. Study shows that it protects from cerebral damage via inhibiting NF-κB activation.

Synonyms

[(1R,2R,3aR,4S,7S,7aR)-3a,4-dimethyl-4'-methylidene-7-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl] (Z)-2-methylbut-2-enoate

IUPAC Name

[3a,4-dimethyl-4'-methylidene-7-(3-methylsulfanylprop-2-enoyloxy)-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl] 2-methylbut-2-enoate

Molecular Weight

448.574

Molecular Formula

C24H32O6S

Canonical SMILES

CC=C(C)C(=O)OC1C2C(CCC(C2(CC13C(=C)COC3=O)C)C)OC(=O)C=CSC

InChI

InChI=1S/C24H32O6S/c1-7-14(2)21(26)30-20-19-17(29-18(25)10-11-31-6)9-8-15(3)23(19,5)13-24(20)16(4)12-28-22(24)27/h7,10-11,15,17,19-20H,4,8-9,12-13H2,1-3,5-6H3/b11-10-,14-7-/t15-,17-,19+,20+,23+,24+/m0/s1

InChIKey

LWJFULOPSWJZSL-BZNVVBPTSA-N

Purity

98.0%

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