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

*Links on SpectraBase are not permalinks.
1-HYDROXY-4,4A-ANHYDRO-8-EPI-5,6,11-TRIDEOXY-TETRODOTOXIN
SpectraBase Compound ID H8NPpLcrkq8
InChI InChI=1S/C11H15N3O5/c1-4-2-5-3-13-10(12)14(18)11(5)7(15)6(4)19-9(17)8(11)16/h3-4,6-8,15-16,18H,2H2,1H3,(H2,12,13)/p+1/t4-,6-,7+,8+,11-/m0/s1
InChIKey ZQOMHZNEQCTSOM-YIBHUKBZSA-O
Mol Weight 270.26 g/mol
Molecular Formula C11H16N3O5
Exact Mass 270.108996 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 ibNLKwm4Ty
Name 1-HYDROXY-4,4A-ANHYDRO-8-EPI-5,6,11-TRIDEOXY-TETRODOTOXIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H15N3O5
InChI InChI=1S/C11H15N3O5/c1-4-2-5-3-13-10(12)14(18)11(5)7(15)6(4)19-9(17)8(11)16/h3-4,6-8,15-16,18H,2H2,1H3,(H2,12,13)/p+1/t4-,6-,7+,8+,11-/m0/s1
InChIKey ZQOMHZNEQCTSOM-YIBHUKBZSA-O
Literature Reference Author Y.KUDO,T.YASUMOTO,K.KONOKI,Y.CHO,M.YOTSU-YAMASHITA
Literature Reference Citation MAR.DRUGS,10,655(2012)
Literature Reference DOI 10.3390/md10030655
Molecular Weight 269.257 g/mol
Source File Reference UWIR5665