John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F3TiuSD6zrm SpectraBase Spectrum ID=EQmj0wfx92y

(accessed ).
BEAUVEROLIDE-LA;CYCLO-[3-HYDROXY-4-METHYLDECANOYL-L-PHENYL-ALANYL-D-ALLO-ISOLEUCYL]
SpectraBase Compound ID F3TiuSD6zrm
InChI InChI=1S/C29H45N3O5/c1-6-8-9-11-14-20(4)24-18-25(33)31-23(17-22-15-12-10-13-16-22)28(35)30-21(5)27(34)32-26(19(3)7-2)29(36)37-24/h10,12-13,15-16,19-21,23-24,26H,6-9,11,14,17-18H2,1-5H3,(H,30,35)(H,31,33)(H,32,34)/t19-,20?,21+,23+,24?,26+/m1/s1
InChIKey LJKNHIBJQYSBGK-FIULMIBKSA-N
Mol Weight 515.7 g/mol
Molecular Formula C29H45N3O5
Exact Mass 515.335922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQmj0wfx92y
Name BEAUVEROLIDE-LA;CYCLO-[3-HYDROXY-4-METHYLDECANOYL-L-PHENYL-ALANYL-D-ALLO-ISOLEUCYL]
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H45N3O5
InChI InChI=1S/C29H45N3O5/c1-6-8-9-11-14-20(4)24-18-25(33)31-23(17-22-15-12-10-13-16-22)28(35)30-21(5)27(34)32-26(19(3)7-2)29(36)37-24/h10,12-13,15-16,19-21,23-24,26H,6-9,11,14,17-18H2,1-5H3,(H,30,35)(H,31,33)(H,32,34)/t19-,20?,21+,23+,24?,26+/m1/s1
InChIKey LJKNHIBJQYSBGK-FIULMIBKSA-N
Literature Reference Author A.JEGOROV,P.SEDMERA,V.MATHA,P.SIMEK,H.ZAHRADNICKOVA,Z.LANDA, J.EYAL
Literature Reference Citation PHYTOCHEM.,37,1301(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90402-3
Molecular Weight 515.693 g/mol
Solvent Unknown
Source File Reference UWMS23508
SpectraBase Batch ID 7GkkPtpQUkk