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3-Epiisopetasol
SpectraBase Compound ID 6xrCQeJ2dWx
InChI InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13-,15+/m0/s1
InChIKey TVDMUSYVWJLIDK-VZJVUDMVSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGuQYXgQvGx
Name 3-Epiisopetasol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13-,15+/m0/s1
InChIKey TVDMUSYVWJLIDK-VZJVUDMVSA-N
Molecular Weight 234.339 g/mol
SMILES O[C@@]1([C@@]([C@@]2(C(=CC(C(C2)=C(C)C)=O)CC1)C)(C)[H])[H]
SPLASH splash10-0udi-0390000000-655eb3142df89e5ad0ba
Source of Spectrum Y4-87-389-1
Synonyms (4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-(1-methylethylidene)-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone 3-epi-isopetasole 3-Hydroxy-4,5-dimethyl-7-isopropylidene(hexahydro)naphthalene
Wiley ID 1550253