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3.alpha.-hydroxyguaia-4(15),9,11(13)-trieno-12,6.alpha.-lactone
SpectraBase Compound ID A4vA2yRF1Aj
InChI InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h4,10-14,16H,2-3,5-6H2,1H3/t10?,11?,12-,13?,14+/m1/s1
InChIKey DHZCSVWZPNIICV-FYUUQPQTSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lJ6Rqll8jc
Name 3.alpha.-hydroxyguaia-4(15),9,11(13)-trieno-12,6.alpha.-lactone
Alternate Name(s) (8R,9bS)-8-hydroxy-6-methyl-3,9-dimethylene-3a,4,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one
CAS Registry Number 119273-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h4,10-14,16H,2-3,5-6H2,1H3/t10?,11?,12-,13?,14+/m1/s1
InChIKey DHZCSVWZPNIICV-FYUUQPQTSA-N
Molecular Weight 246.306 g/mol
SMILES O[C@]1(C(C2[C@]3(OC(=O)C(C3CC=C(C2C1)C)=C)[H])=C)[H]
SPLASH splash10-0udj-2920000000-f423bbd17d5f77366b60
Source of Spectrum J-54-1958-37
Wiley ID 1249217