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(2S,3R,4E,8E)2-Azido-1,3-di-O benzyl-7-(phenylthio)-4,8-octadecadiene-1,3-diol
SpectraBase Compound ID Kf8gCfRKVLw
InChI InChI=1S/C38H49N3O2S/c1-2-3-4-5-6-7-8-9-17-25-36(44-35-26-18-12-19-27-35)28-20-29-38(43-31-34-23-15-11-16-24-34)37(40-41-39)32-42-30-33-21-13-10-14-22-33/h10-27,29,36-38H,2-9,28,30-32H2,1H3/b25-17+,29-20+/t36?,37-,38+/m0/s1
InChIKey XODSQXGYRXPMCI-HQULJAMCSA-N
Mol Weight 611.9 g/mol
Molecular Formula C38H49N3O2S
Exact Mass 611.354549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS6Abrl3TZL
Name (2S,3R,4E,8E)2-Azido-1,3-di-O benzyl-7-(phenylthio)-4,8-octadecadiene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H49N3O2S
InChI InChI=1S/C38H49N3O2S/c1-2-3-4-5-6-7-8-9-17-25-36(44-35-26-18-12-19-27-35)28-20-29-38(43-31-34-23-15-11-16-24-34)37(40-41-39)32-42-30-33-21-13-10-14-22-33/h10-27,29,36-38H,2-9,28,30-32H2,1H3/b25-17+,29-20+/t36?,37-,38+/m0/s1
InChIKey XODSQXGYRXPMCI-HQULJAMCSA-N
Molecular Weight 611.889 g/mol
SMILES [C@](N=[N+]=[N-])([C@](OCc1ccccc1)(\C=C\CC(Sc1ccccc1)\C=C\CCCCCCCCC)[H])(COCc1ccccc1)[H]
SPLASH splash10-002f-9440000000-d4abae1060d5abe60dfa
Source of Spectrum J-65-8150-24
Synonyms (2R,3R,4E,8E)2-Azido-1,3-di-O benzyl-7-(phenylthio)-4,8-octadecadiene-1,3-diol ({(2E)-1-[(2E,4R,5S)-5-azido-4,6-bis(benzyloxy)-2-hexenyl]-2-dodecenyl}sulfanyl)benzene [(1R,2E,6E)-1-[(1S)-1-azido-2-benzoxy-ethyl]-5-(phenylthio)hexadeca-2,6-dienoxy]methylbenzene [(1R,2E,6E)-1-[(1S)-1-azido-2-benzyloxy-ethyl]-5-phenylsulfanyl-hexadeca-2,6-dienoxy]methylbenzene [(2S,3R,4E,8E)-2-azido-1,3-bis(phenylmethoxy)octadeca-4,8-dien-7-yl]sulfanylbenzene [[(2S,3R,4E,8E)-2-azido-1,3-bis(phenylmethoxy)octadeca-4,8-dien-7-yl]thio]benzene
Wiley ID 1533906