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(3S,4S,6R,9S,10S)/(3S,4S,6S,9S,10S)-9,10-Bis(benzyloxy)-3,4-dimethoxy-6-(pivaloyloxy)dodeca-7,11-diyn-1-ol
SpectraBase Compound ID FsUIAd0C96I
InChI InChI=1S/C33H42O7/c1-7-28(38-23-25-14-10-8-11-15-25)30(39-24-26-16-12-9-13-17-26)19-18-27(40-32(35)33(2,3)4)22-31(37-6)29(36-5)20-21-34/h1,8-17,27-31,34H,20-24H2,2-6H3/t27-,28+,29+,30+,31+/m1/s1
InChIKey PGSFZDOQAXFQDW-LVIOGHJBSA-N
Mol Weight 550.7 g/mol
Molecular Formula C33H42O7
Exact Mass 550.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WXVcI2B5E
Name (3S,4S,6R,9S,10S)/(3S,4S,6S,9S,10S)-9,10-Bis(benzyloxy)-3,4-dimethoxy-6-(pivaloyloxy)dodeca-7,11-diyn-1-ol
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Formula C33H42O7
InChI InChI=1S/C33H42O7/c1-7-28(38-23-25-14-10-8-11-15-25)30(39-24-26-16-12-9-13-17-26)19-18-27(40-32(35)33(2,3)4)22-31(37-6)29(36-5)20-21-34/h1,8-17,27-31,34H,20-24H2,2-6H3/t27-,28+,29+,30+,31+/m1/s1
InChIKey PGSFZDOQAXFQDW-LVIOGHJBSA-N
Molecular Weight 550.692 g/mol
SMILES OCC[C@@]([C@](C[C@](OC(C(C)(C)C)=O)(C#C[C@@]([C@](C#C)(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(OC)[H])(OC)[H]
SPLASH splash10-0a4l-9000400000-eb737b72972297652417
Source of Spectrum KC-0-742-30
Synonyms (1S,4S,5S)-4,5-bis(benzyloxy)-1-[(2S,3S)-5-hydroxy-2,3-dimethoxypentyl]-2,6-heptadiynyl pivalate
Wiley ID 830081