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5,11-EPOXY-3-HYDROXY-9-OXO-MEGASTIGMANE
SpectraBase Compound ID EF0szRPykvQ
InChI InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h10-11,15H,4-8H2,1-3H3/t10-,11+,12+,13+/m1/s1
InChIKey BDHDHTHQHMXIDO-VOAKCMCISA-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 664fo7QLX09
Name 4-[(1R*,3R*,5S*,8S*)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h10-11,15H,4-8H2,1-3H3/t10-,11+,12+,13+/m1/s1
InChIKey BDHDHTHQHMXIDO-VOAKCMCISA-N
Literature Reference DOI 10.1021/ol7028178
Molecular Weight 226.316 g/mol
SMILES O[C@]1(C[C@@]2(OC[C@@](C1)(C)[C@@]2(CCC(C)=O)[H])C)[H]
SPLASH splash10-067i-7900000000-34a4b750066deb260c7b
Source of Spectrum A1-10-449/SMS13-17
Synonyms 4-((1R,3R,5S,8S)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)butan-2-one
Wiley ID 1759008