John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1990T4VJqSG SpectraBase Spectrum ID=2fFpR07IiRi

(accessed ).
CYCLOLINOPEPTIDE-F;CYCLO-(PRO-PHE-PHE-TRP-VAL-MSO-LEU-MSO)
SpectraBase Compound ID 1990T4VJqSG
InChI InChI=1S/C55H73N9O10S2/c1-33(2)28-42-49(66)58-41(24-27-76(6)74)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(48(65)59-42)23-26-75(5)73/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42+,43-,44+,45+,46-,47+,75?,76?/m0/s1
InChIKey OPPHXUQOVAMNAS-KFJNJUQXSA-N
Mol Weight 1084.4 g/mol
Molecular Formula C55H73N9O10S2
Exact Mass 1083.492184 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 2fFpR07IiRi
Name CYCLOLINOPEPTIDE-F;CYCLO-(PRO-PHE-PHE-TRP-VAL-MSO-LEU-MSO)
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H73N9O10S2
InChI InChI=1S/C55H73N9O10S2/c1-33(2)28-42-49(66)58-41(24-27-76(6)74)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(48(65)59-42)23-26-75(5)73/h7-14,16-21,32-34,40-47,56H,15,22-31H2,1-6H3,(H,57,71)(H,58,66)(H,59,65)(H,60,68)(H,61,67)(H,62,70)(H,63,69)/t40-,41-,42+,43-,44+,45+,46-,47+,75?,76?/m0/s1
InChIKey OPPHXUQOVAMNAS-KFJNJUQXSA-N
Literature Reference Author T.MATSUMOTO,A.SHISHIDO,H.MORITA,H.ITOKAWA,K.TAKEYA
Literature Reference Citation PHYTOCHEM.,57,251(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00442-8
Molecular Weight 1084.359 g/mol
Solvent DMSO-D6
Source File Reference UWVN2145
SpectraBase Batch ID EZWANIptVnu