Paeonilactone C

Datasheet MSDS
Catalog Number
ANC03314
Product Name
Paeonilactone C
CAS Number
98751-77-0
IUPAC Name
[(3S,3aR,6S,7aR)-6-hydroxy-6-methyl-2,5-dioxo-3a,4,7,7a-tetrahydro-3H-1-benzofuran-3-yl]methyl benzoate
Synonyms
[3S,3aα,7aα,(-)]-3a,6,7,7a-Tetrahydro-6β-hydroxy-3α-[(benzoyloxy)methyl]-6-methylbenzofuran-2,5(3H,4H)-dione
Molecular Formula
C17H18O6
Molecular Weight
318.3
Appearance
Powder
Purity
0.97
SMILES
C[C@@]1(C[C@@H]2[C@H](CC1=O)[C@H](C(=O)O2)COC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C17H18O6/c1-17(21)8-13-11(7-14(17)18)12(16(20)23-13)9-22-15(19)10-5-3-2-4-6-10/h2-6,11-13,21H,7-9H2,1H3/t11-,12-,13-,17+/m1/s1
InChI Key
BDKBBWGLLDEQEV-ZFRZLUBXSA-N
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