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3-Acetoxy-11H-guaia-4(15),10(14)-dien-12,6-olide
SpectraBase Compound ID 9kihnqXouCP
InChI InChI=1S/C17H22O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h9,12-16H,1,3,5-7H2,2,4H3/t9?,12-,13+,14?,15?,16?/m1/s1
InChIKey SQNNWZYJAHLOGG-KSHIPSLDSA-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 1O5R3k644jJ
Name 3-Acetoxy-11H-guaia-4(15),10(14)-dien-12,6-olide
Alternate Name(s) (3R,3aR,6aR)-3-methyl-6,9-dimethylene-2-oxododecahydroazuleno[4,5-b]furan-8-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h9,12-16H,1,3,5-7H2,2,4H3/t9?,12-,13+,14?,15?,16?/m1/s1
InChIKey SQNNWZYJAHLOGG-KSHIPSLDSA-N
Molecular Weight 290.359 g/mol
SMILES C12C3OC(=O)C([C@]3(CCC([C@@]1(CC(C2=C)OC(=O)C)[H])=C)[H])C
SPLASH splash10-0a4j-5390000000-fa8574f6abe3d31ccf0c
Source of Spectrum LQ-1992-3402-0
Wiley ID 1293710