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Blumenol A
SpectraBase Compound ID 1MyLuMy2mdJ
InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m1/s1
InChIKey KPQMCAKZRXOZLB-ZKQKWALRSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A0ICmB99Keb
Name Vomifoliol (Blumenol A)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m1/s1
InChIKey KPQMCAKZRXOZLB-ZKQKWALRSA-N
Molecular Weight 224.300 g/mol
SMILES OC(\C=C\[C@]1(C(=CC(CC1(C)C)=O)C)O)C
SPLASH splash10-00di-0900000000-7db341ecaa6a68801742
Source of Spectrum H-86-2169-3
Synonyms (4S)-3,5,5-trimethyl-4-oxidanyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-2-en-1-one (4S)-4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-2-enone (4S)-4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one (4S)-4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one vomifoliol
Wiley ID 1525504