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5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-6-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,6.beta.,9.alpha.,9a.beta.,10R*)-

View entire compound with spectra: 1 MS (GC)

5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-6-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,6.beta.,9.alpha.,9a.beta.,10R*)-
SpectraBase Compound ID BeuROKdyKRW
InChI InChI=1S/C12H16O3/c13-7-3-1-6-10-8-4-2-5(11(10)14)9(7)12(6)15-8/h5-10,12-13H,1-4H2/t5-,6-,7?,8-,9-,10-,12+/m1/s1
InChIKey SGKHSGQTNNKECT-LFKWLHFGSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjBlGgMTW6L
Name 5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-6-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,6.beta.,9.alpha.,9a.beta.,10R*)-
CAS Registry Number 83098-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c13-7-3-1-6-10-8-4-2-5(11(10)14)9(7)12(6)15-8/h5-10,12-13H,1-4H2/t5-,6-,7?,8-,9-,10-,12+/m1/s1
InChIKey SGKHSGQTNNKECT-LFKWLHFGSA-N
Molecular Weight 208.257 g/mol
SMILES OC1[C@]2([C@@]3(C(=O)[C@@]4([C@]([C@@]2(O[C@@]4(CC3)[H])[H])(CC1)[H])[H])[H])[H]
SPLASH splash10-0a4m-9420000000-20289894a8a50ce223d9
Source of Spectrum H-65-1012-0
Synonyms 7-Hydroxy-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]tridecan-2-one 7exo-hydroxy-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]tridecan-2-one
Wiley ID 1206841