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(+-)-(1R*,4S*,5R*,6S*)-3-(Acetoxymethyl)-2-[(Z)-hept-1'-enyl]-5,6-epoxycyclohex-2-ene-1,4-diol
SpectraBase Compound ID FAXPI7asOJh
InChI InChI=1S/C16H24O5/c1-3-4-5-6-7-8-11-12(9-20-10(2)17)14(19)16-15(21-16)13(11)18/h7-8,13-16,18-19H,3-6,9H2,1-2H3/b8-7-/t13-,14+,15+,16-/m0/s1
InChIKey BEXKYTITMGINTJ-QIIZGCCESA-N
Mol Weight 296.36 g/mol
Molecular Formula C16H24O5
Exact Mass 296.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvIC03Zdb26
Name (+-)-(1R*,4S*,5R*,6S*)-3-(Acetoxymethyl)-2-[(Z)-hept-1'-enyl]-5,6-epoxycyclohex-2-ene-1,4-diol
CAS Registry Number 89826-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O5
InChI InChI=1S/C16H24O5/c1-3-4-5-6-7-8-11-12(9-20-10(2)17)14(19)16-15(21-16)13(11)18/h7-8,13-16,18-19H,3-6,9H2,1-2H3/b8-7-/t13-,14+,15+,16-/m0/s1
InChIKey BEXKYTITMGINTJ-QIIZGCCESA-N
Molecular Weight 296.363 g/mol
SMILES O[C@]1(C(=C([C@]([C@]2([C@@]1(O2)[H])[H])(O)[H])COC(=O)C)\C=C/CCCCC)[H]
SPLASH splash10-00kb-0940000000-abb57d7c981a905444b1
Source of Spectrum J-49-1904-0
Synonyms {(1S,2R,5S,6R)-4-[(1Z)-1-heptenyl]-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methyl acetate
Wiley ID 1299018