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2-cis-5-[ (1' R,2' R,4' S)-1',2'-Epoxy-4'-acetoxy-2',6',6'-trimethoxycyclohexylidene]-3-methyl-2-penten-4-yn-1-yl acetate

View entire compound with spectra: 2 MS (GC)

2-cis-5-[ (1' R,2' R,4' S)-1',2'-Epoxy-4'-acetoxy-2',6',6'-trimethoxycyclohexylidene]-3-methyl-2-penten-4-yn-1-yl acetate
SpectraBase Compound ID iExebRTMF
InChI InChI=1S/C19H26O5/c1-13(8-10-22-14(2)20)7-9-19-17(4,5)11-16(23-15(3)21)12-18(19,6)24-19/h8,16H,10-12H2,1-6H3/b13-8+/t16-,18+,19-/m0/s1
InChIKey WWYHNKCGMZUORE-VSFGJTCDSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMdkurDXapp
Name 2-cis-5-[ (1' R,2' R,4' S)-1',2'-Epoxy-4'-acetoxy-2',6',6'-trimethoxycyclohexylidene]-3-methyl-2-penten-4-yn-1-yl acetate
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Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-13(8-10-22-14(2)20)7-9-19-17(4,5)11-16(23-15(3)21)12-18(19,6)24-19/h8,16H,10-12H2,1-6H3/b13-8+/t16-,18+,19-/m0/s1
InChIKey WWYHNKCGMZUORE-VSFGJTCDSA-N
Molecular Weight 334.412 g/mol
SMILES [C@@]12([C@](C[C@](CC2(C)C)(OC(=O)C)[H])(C)O1)C#C\C(=C\COC(=O)C)C
SPLASH splash10-000f-9730000000-9109e29cd4799ce88de6
Source of Spectrum SB-49-276-6
Synonyms 2-trans-5-[ (1' R,2' R,4' S)-1',2'-Epoxy-4'-acetoxy-2',6',6'-trimethoxycyclohexylidene]-3-methyl-2-penten-4-yn-1-yl acetate (1R,3S,6R)-6-[(3E)-5-(acetyloxy)-3-methyl-3-penten-1-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-3-yl acetate 2-trans-5-[(1' r,2' r,4' s)-1',2'-epoxy-4'-acetoxy-2',6',6'-trimethoxycyclohexylidene]-3-methyl-2-penten-4-yn-1-yl acetate 2-cis-5-[(1' r,2' r,4' s)-1',2'-epoxy-4'-acetoxy-2',6',6'-trimethoxycyclohexylidene]-3-methyl-2-penten-4-yn-1-yl acetate
Wiley ID 1330988