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(2S,3R,1'R,2'R)-Stegobiol
SpectraBase Compound ID 2rqFxq0ArkC
InChI InChI=1S/C13H22O3/c1-6-11(14)8(3)13-9(4)12(15)7(2)10(5)16-13/h7-8,10-11,14H,6H2,1-5H3/t7-,8-,10+,11-/m1/s1
InChIKey SVKSBWJFRYOFFE-DEKFOEGESA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23Pm8KMtqyA
Name (2S,3R,1'R,2'R)-Stegobiol
Alternate Name(s) (2S,3R)-6-[(1R,2R)-2-hydroxy-1-methylbutyl]-2,3,5-trimethyl-2,3-dihydro-4H-pyran-4-one (2S,3R,1'S,2'S)-stegobiol
CAS Registry Number 128706-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-6-11(14)8(3)13-9(4)12(15)7(2)10(5)16-13/h7-8,10-11,14H,6H2,1-5H3/t7-,8-,10+,11-/m1/s1
InChIKey SVKSBWJFRYOFFE-DEKFOEGESA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]([C@](C1=C(C(=O)[C@@]([C@@](O1)(C)[H])(C)[H])C)(C)[H])(CC)[H]
SPLASH splash10-08fr-5910000000-eb21b42b4d369cfeafec
Source of Spectrum LQ-1992-3236-0
Wiley ID 1227567