Orobanchyl acetate
[CAS# 1413843-71-6]

Identification

• Name: Orobanchyl 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: 388.42
• CAS Registry Number: 1413843-71-6
• SMILES: CC1=CC(OC1=O)OC=C2C3C(C4=C(C3OC(=O)C)CCCC4(C)C)OC2=O
• 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
• InChIKey: DLRIUVHQJRZTMZ-CQMYTRALSA-N