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(3R,4R,5R)-5-Acetoxycaryophyll-8(13)-ene-3,4-epoxide
SpectraBase Compound ID 1WRBCGe0R8o
InChI InChI=1S/C17H26O3/c1-10-6-7-14(19-11(2)18)17(5)15(20-17)8-13-12(10)9-16(13,3)4/h12-15H,1,6-9H2,2-5H3/t12-,13-,14-,15-,17+/m1/s1
InChIKey INDBUEHAZIOMJL-IETPZCKNSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENK0oEkw3mu
Name (3R,4R,5R)-5-Acetoxycaryophyll-8(13)-ene-3,4-epoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-10-6-7-14(19-11(2)18)17(5)15(20-17)8-13-12(10)9-16(13,3)4/h12-15H,1,6-9H2,2-5H3/t12-,13-,14-,15-,17+/m1/s1
InChIKey INDBUEHAZIOMJL-IETPZCKNSA-N
Molecular Weight 278.392 g/mol
SMILES [C@@]12(O[C@@]2(C[C@@]2([C@@]([H])(C(CC[C@]1(OC(=O)C)[H])=C)CC2(C)C)[H])[H])C
SPLASH splash10-004i-0900000000-4f7d2de97c4b89cce79c
Source of Spectrum J-62-1968-6
Synonyms (3R,5R,6R)-5,12,12-trimethyl-9-methylene-4-oxatricyclo[8.2.0.0(3,5)]dodec-6-yl acetate Acetic acid (1R,3R,5R,6R,10S)-5,12,12-trimethyl-9-methylene-4-oxa-tricyclo[8.2.0.0*3,5*]dodec-6-yl ester
Wiley ID 1282327