Orobanchyl acetate

Datasheet MSDS
Catalog Number
ANC04468
Product Name
Orobanchyl acetate
Structure
Orobanchyl acetate
CAS Number
1413843-71-6
IUPAC Name
[(3E,3aS,4S,8bS)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-2-oxo-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-4-yl] acetate
Synonyms
[(3E,3aS,4S,8bS)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-2-oxo-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-4-yl]acetate
Molecular Formula
C21H24O7
Molecular Weight
388.416
Appearance
Powder
Purity
0.98
SMILES
CC1=C[C@@H](OC1=O)O/C=C/2\[C@@H]3[C@@H](C4=C([C@H]3OC(=O)C)CCCC4(C)C)OC2=O
InChI
InChI=1S/C21H24O7/c1-10-8-14(27-19(10)23)25-9-13-15-17(26-11(2)22)12-6-5-7-21(3,4)16(12)18(15)28-20(13)24/h8-9,14-15,17-18H,5-7H2,1-4H3/b13-9+/t14-,15+,17-,18+/m1/s1
InChI Key
DLRIUVHQJRZTMZ-CQMYTRALSA-N
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