Bakkenolide IIIa

Datasheet MSDS
Catalog Number
ANC04521
Product Name
Bakkenolide IIIa
CAS Number
915289-60-0
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
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
Molecular Formula
C24H32O6S
Molecular Weight
448.574
Appearance
Powder
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
InChI Key
LWJFULOPSWJZSL-UHFFFAOYSA-N
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