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(4S,6S,1E)-3-(Acetoxymethylene)-6,7-dihydroxy-7,11-dimethyldodeca-1,10-dien-8-yne-1,4- diacetate
SpectraBase Compound ID 66I9xNI9khQ
InChI InChI=1S/C21H28O8/c1-14(2)8-7-10-21(6,26)20(25)12-19(29-17(5)24)18(13-28-16(4)23)9-11-27-15(3)22/h8-9,11,13,19-20,25-26H,12H2,1-6H3/b11-9+,18-13+/t19-,20-,21?/m0/s1
InChIKey JFUNEFPVPDNRIB-OQQGOPMISA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vAn2xTEpCj
Name (4S,6S,1E)-3-(Acetoxymethylene)-6,7-dihydroxy-7,11-dimethyldodeca-1,10-dien-8-yne-1,4- diacetate
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Formula C21H28O8
InChI InChI=1S/C21H28O8/c1-14(2)8-7-10-21(6,26)20(25)12-19(29-17(5)24)18(13-28-16(4)23)9-11-27-15(3)22/h8-9,11,13,19-20,25-26H,12H2,1-6H3/b11-9+,18-13+/t19-,20-,21?/m0/s1
InChIKey JFUNEFPVPDNRIB-OQQGOPMISA-N
Molecular Weight 408.447 g/mol
SMILES OC([C@](C[C@@](\C(=C\OC(=O)C)\C=C\OC(=O)C)(OC(=O)C)[H])(O)[H])(C#CC=C(C)C)C
SPLASH splash10-006x-9500000000-8f6ad34816dfc4c62972
Source of Spectrum U1-1999-1989-11
Synonyms (1E)-1,3-di-O-acetyl-2-[(E)-2-(acetyloxy)ethenyl]-2,4,7-trideoxy-6-C-(4-methyl-3-penten-1-ynyl)-D-threo-hept-1-enitol (4S,6S,1E)-(Acetoxymethylene)-6,7-dihydroxy-7,11-dimethyldodeca-1,10-dien-8-yne-1,14-diyl diacetate (4S,6S,1E)-3-(Acetoxymethylene)-6,7-dihydroxy-7,11-dimethyldodeca-1,10-dien-8-yne-1,14-diyl diacetate
Wiley ID 753255