Debug Info

object
{15}
_id
:
JzqGgKz1qan
spectrumID
:
JzqGgKz1qan
cost
:
1
specType
:
262144
xnmrNucleus
:
0
dbLocation
:
WRX:254143:1
hasStructureAssignments
:
true
properties
{12}
analyticalTechnique
:
13C NMR
analyticalTechniqueLongName
:
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
:
false
spectralOutlier
:
false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

Logged In :

Authorized Features

  • None
  • DataFullSpectraPoints
  • DataReadAll
  • DataReportGeneration
  • ExportCompound
  • ExportStructure
  • ExportSpectrum
  • ImageFullMS
  • ImageHighRes
  • ImageFullAxis
  • SearchSpectral
  • SearchStructure
ADVERTISEMENT
CYCLOMONTANIN_C;CYCLO-(-PHE(1)-PRO-(2)-PRO-(3)-THR-(4)-PHE-(5)-ASN-(6)-HIS-(7)-VAL-(8)-ASN-(9)-)
SpectraBase Compound ID 3TKmQXFcQFq
InChI InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28?,32-,33-,34-,35-,36-,37-,38-,41-,42-/m0/s1
InChIKey POVFXEIWKRHEKP-OHQKQPKLSA-N
Mol Weight 1054.2 g/mol
Molecular Formula C51H67N13O12
Exact Mass 1053.503215 g/mol
ADVERTISEMENT

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 JzqGgKz1qan
Name CYCLOMONTANIN_C;CYCLO-(-PHE(1)-PRO-(2)-PRO-(3)-THR-(4)-PHE-(5)-ASN-(6)-HIS-(7)-VAL-(8)-ASN-(9)-)
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H67N13O12
InChI InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28?,32-,33-,34-,35-,36-,37-,38-,41-,42-/m0/s1
InChIKey POVFXEIWKRHEKP-OHQKQPKLSA-N
Literature Reference Author P.H.CHUANG,P.W.HSIEH,Y.L.YANG,K.F.HUA,F.R.CHANG,J.SHIEA,S.H. WU,Y.C.WU
Literature Reference Citation J.NAT.PROD.,71,1365(2008)
Literature Reference DOI 10.1021/np8001282
Molecular Weight 1054.173 g/mol
Sample ID 28457
Solvent C5D5N
ADVERTISEMENT