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2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-[1-[(4-nitrophenyl)methyl]-1H-tetrazol-5-yl]-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID ADEVVG1mToz
InChI InChI=1S/C24H33N5O7/c1-13(9-21-25-26-27-28(21)11-16-4-6-18(7-5-16)29(33)34)8-19-23(32)22(31)17(12-35-19)10-20-24(36-20)14(2)15(3)30/h4-7,9,14-15,17,19-20,22-24,30-32H,8,10-12H2,1-3H3/b13-9+/t14-,15?,17-,19-,20?,22+,23-,24?/m0/s1
InChIKey MGSRRQBIYZGRMN-DKUJJBLQSA-N
Mol Weight 503.6 g/mol
Molecular Formula C24H33N5O7
Exact Mass 503.237998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BuoaC3MqqF
Name 2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-[1-[(4-nitrophenyl)methyl]-1H-tetrazol-5-yl]-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
CAS Registry Number 96127-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33N5O7
InChI InChI=1S/C24H33N5O7/c1-13(9-21-25-26-27-28(21)11-16-4-6-18(7-5-16)29(33)34)8-19-23(32)22(31)17(12-35-19)10-20-24(36-20)14(2)15(3)30/h4-7,9,14-15,17,19-20,22-24,30-32H,8,10-12H2,1-3H3/b13-9+/t14-,15?,17-,19-,20?,22+,23-,24?/m0/s1
InChIKey MGSRRQBIYZGRMN-DKUJJBLQSA-N
Molecular Weight 503.556 g/mol
SMILES OC([C@@](C1OC1C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1[n](nnn1)Cc1ccc(N(=O)=O)cc1)C)[H])[H])(C)[H])C
SPLASH splash10-0a4i-0910000000-0376f8d6f91d8e5dddb6
Source of Spectrum KC-1989-2052-2
Synonyms (2S,3R,4R,5S)-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)-2-[(2E)-2-methyl-3-{1-[(4-nitrophenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}prop-2-en-1-yl]oxane-3,4-diol 5-Normonyl-1-(p-nitrobenzyl)-1H-tetrazole
Wiley ID 1399388