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[(1SR)-Benzyloxycarbonylamino-5-hydroxy-(4R)-methyl-2-phenylpent-(2E)-enyl]benzoic acid methyl ester
SpectraBase Compound ID 2UTnHO4rXwv
InChI InChI=1S/C28H29NO5/c1-20(18-30)17-25(22-11-7-4-8-12-22)26(23-13-15-24(16-14-23)27(31)33-2)29-28(32)34-19-21-9-5-3-6-10-21/h3-17,20,26,30H,18-19H2,1-2H3,(H,29,32)/b25-17+/t20-,26?/m1/s1
InChIKey APSGOLQRGDOTKY-TWHANJRLSA-N
Mol Weight 459.54 g/mol
Molecular Formula C28H29NO5
Exact Mass 459.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8f2VvxUNCWE
Name [(1SR)-Benzyloxycarbonylamino-5-hydroxy-(4R)-methyl-2-phenylpent-(2E)-enyl]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO5
InChI InChI=1S/C28H29NO5/c1-20(18-30)17-25(22-11-7-4-8-12-22)26(23-13-15-24(16-14-23)27(31)33-2)29-28(32)34-19-21-9-5-3-6-10-21/h3-17,20,26,30H,18-19H2,1-2H3,(H,29,32)/b25-17+/t20-,26?/m1/s1
InChIKey APSGOLQRGDOTKY-TWHANJRLSA-N
Literature Reference DOI 10.1002/adsc.200505171
Molecular Weight 459.542 g/mol
SMILES N(C(\C(=C\[C@](CO)(C)[H])c1ccccc1)c1ccc(C(OC)=O)cc1)C(=O)OCc1ccccc1
SPLASH splash10-0006-9120000000-883a574968db65ef9813
Source of Spectrum ASC-347-1605/SM16-10
Synonyms Methyl 4-((4R,E)-1-(((benzyloxy)carbonyl)amino)-5-hydroxy-4-methyl-2-phenylpent-2-en-1-yl)benzoate 4-[(E,4R)-5-hydroxy-4-methyl-2-phenyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester Methyl 4-[(E,4R)-5-hydroxy-4-methyl-2-phenyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Methyl 4-[(E,4R)-1-(benzyloxycarbonylamino)-5-hydroxy-4-methyl-2-phenyl-pent-2-enyl]benzoate Methyl 4-[(E,4R)-4-methyl-5-oxidanyl-2-phenyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate
Wiley ID 1767714