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[(1R,2E,6E)-1-[(1S)-1-azido-2-benzoxy-ethyl]-7-methyl-5-(phenylthio)hexadeca-2,6-dienoxy]methylbenzene
SpectraBase Compound ID KAhfIGwUsYL
InChI InChI=1S/C39H51N3O2S/c1-3-4-5-6-7-8-12-20-33(2)29-37(45-36-25-17-11-18-26-36)27-19-28-39(44-31-35-23-15-10-16-24-35)38(41-42-40)32-43-30-34-21-13-9-14-22-34/h9-11,13-19,21-26,28-29,37-39H,3-8,12,20,27,30-32H2,1-2H3/b28-19+,33-29+/t37?,38-,39+/m0/s1
InChIKey GOBCAUFRVQNQIE-DLFSRNLISA-N
Mol Weight 625.9 g/mol
Molecular Formula C39H51N3O2S
Exact Mass 625.370199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6f0Zo7bprna
Name [(1R,2E,6E)-1-[(1S)-1-azido-2-benzoxy-ethyl]-7-methyl-5-(phenylthio)hexadeca-2,6-dienoxy]methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H51N3O2S
InChI InChI=1S/C39H51N3O2S/c1-3-4-5-6-7-8-12-20-33(2)29-37(45-36-25-17-11-18-26-36)27-19-28-39(44-31-35-23-15-10-16-24-35)38(41-42-40)32-43-30-34-21-13-9-14-22-34/h9-11,13-19,21-26,28-29,37-39H,3-8,12,20,27,30-32H2,1-2H3/b28-19+,33-29+/t37?,38-,39+/m0/s1
InChIKey GOBCAUFRVQNQIE-DLFSRNLISA-N
Molecular Weight 625.916 g/mol
SMILES [C@](N=[N+]=[N-])([C@](OCc1ccccc1)(\C=C\CC(\C=C\(CCCCCCCCC)C)Sc1ccccc1)[H])(COCc1ccccc1)[H]
SPLASH splash10-000f-9020200000-5d795c3aef8f704be1b9
Source of Spectrum J-65-8150-18
Synonyms [(1R,2E,6E)-1-[(1S)-1-azido-2-benzyloxy-ethyl]-7-methyl-5-phenylsulfanyl-hexadeca-2,6-dienoxy]methylbenzene [(2S,3R,4E,8E)-2-azido-9-methyl-1,3-bis(phenylmethoxy)octadeca-4,8-dien-7-yl]sulfanylbenzene [[(2S,3R,4E,8E)-2-azido-9-methyl-1,3-bis(phenylmethoxy)octadeca-4,8-dien-7-yl]thio]benzene
Wiley ID 1533909