For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
AERUGINOSIN_DA495A;D-HPLA-D-PHE-L-6-EPI-CHOI-AMIDE;MAJOR_ROTAMER;CIS
SpectraBase Compound ID 2wX0UaUpxcB
InChI InChI=1S/C27H33N3O6/c28-25(34)23-14-18-8-11-20(32)15-22(18)30(23)27(36)21(12-16-4-2-1-3-5-16)29-26(35)24(33)13-17-6-9-19(31)10-7-17/h1-7,9-10,18,20-24,31-33H,8,11-15H2,(H2,28,34)(H,29,35)/t18-,20-,21+,22-,23-,24+/m0/s1
InChIKey NGUWJJZEICUAEZ-YKWUAUMOSA-N
Mol Weight 495.6 g/mol
Molecular Formula C27H33N3O6
Exact Mass 495.236936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HRITYVspFp3
Name AERUGINOSIN_DA495A;D-HPLA-D-PHE-L-6-EPI-CHOI-AMIDE;MAJOR_ROTAMER;CIS
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33N3O6
InChI InChI=1S/C27H33N3O6/c28-25(34)23-14-18-8-11-20(32)15-22(18)30(23)27(36)21(12-16-4-2-1-3-5-16)29-26(35)24(33)13-17-6-9-19(31)10-7-17/h1-7,9-10,18,20-24,31-33H,8,11-15H2,(H2,28,34)(H,29,35)/t18-,20-,21+,22-,23-,24+/m0/s1
InChIKey NGUWJJZEICUAEZ-YKWUAUMOSA-N
Literature Reference Author S.ADIV,S.CARMELI
Literature Reference Citation J.NAT.PROD.,76,2307(2013)
Literature Reference DOI 10.1021/np4006844
Molecular Weight 495.576 g/mol
Solvent DMSO-D6
Source File Reference UWMZ43589