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4(2H)-Benzofuranone, 3-(acetyloxy)-3,3a,7,7a-tetrahydro-3,6-dimethyl-2-(3-methyl-2-butenylidene)-, [3R-(2Z,3.alpha.,3a.beta.,7a.beta.)]-
SpectraBase Compound ID 9RXUSYKKHI2
InChI InChI=1S/C17H22O4/c1-10(2)6-7-15-17(5,21-12(4)18)16-13(19)8-11(3)9-14(16)20-15/h6-8,14,16H,9H2,1-5H3/b15-7-/t14-,16+,17+/m1/s1
InChIKey WOLBPUBWFQBUSK-OWKMLQANSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbRETVVInfJ
Name 4(2H)-Benzofuranone, 3-(acetyloxy)-3,3a,7,7a-tetrahydro-3,6-dimethyl-2-(3-methyl-2-butenylidene)-, [3R-(2Z,3.alpha.,3a.beta.,7a.beta.)]-
Alternate Name(s) (2Z,3R,3aS,7aR)-3,6-dimethyl-2-(3-methyl-2-butenylidene)-4-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-3-yl acetate 9-endo-acetoxy-4,9-exo-dimethyl-(3-methyl-2-butenylidene)-2-oxy-7-oxabicyclo[4.3.0]non-3-ene Acetoxy-bisabolangolone
CAS Registry Number 124456-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-10(2)6-7-15-17(5,21-12(4)18)16-13(19)8-11(3)9-14(16)20-15/h6-8,14,16H,9H2,1-5H3/b15-7-/t14-,16+,17+/m1/s1
InChIKey WOLBPUBWFQBUSK-OWKMLQANSA-N
Molecular Weight 290.359 g/mol
SMILES [C@@]1([C@]2(C(C=C(C[C@@]2([H])O\C1=C\C=C(C)C)C)=O)[H])(OC(=O)C)C
SPLASH splash10-000t-0790000000-794e6fb5e7744a563b0f
Source of Spectrum F-45-2599-9
Wiley ID 1293718