John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9YmvVm90Du1 SpectraBase Spectrum ID=2aWTR0367Mc

(accessed ).
BEAUVERIOLIDE-3;CYCLO-[(3-S,4-S)-3-HYDROXY-4-METHYL-OCTANOYL-L-PHENYL-ALANYL-L-ALANYL-D-ALLO-ISOLEUCYL]
SpectraBase Compound ID 9YmvVm90Du1
InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19+,21+,22+,24-/m1/s1
InChIKey VEELKRGSLCNVAR-GYPANDIESA-N
Mol Weight 487.6 g/mol
Molecular Formula C27H41N3O5
Exact Mass 487.304622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aWTR0367Mc
Name BEAUVERIOLIDE-3;CYCLO-[(3-S,4-S)-3-HYDROXY-4-METHYL-OCTANOYL-L-PHENYL-ALANYL-L-ALANYL-D-ALLO-ISOLEUCYL]
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H41N3O5
InChI InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19+,21+,22+,24-/m1/s1
InChIKey VEELKRGSLCNVAR-GYPANDIESA-N
Literature Reference Author I.NAMATAME,H.TOMODA,N.TABATA,S.SI,S.OMURA
Literature Reference Citation J.ANTIBIOTICS,52,7(1999)
Literature Reference DOI 10.7164/antibiotics.52.857
Molecular Weight 487.640 g/mol
Solvent CD3OD
Source File Reference UWRU972
SpectraBase Batch ID 1q26zkf5cGg