Debug Info

object
{15}
_id
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DniVCIFGvyn
spectrumID
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DniVCIFGvyn
cost
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1
specType
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262144
xnmrNucleus
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WRX:291387:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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compound
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GENISTEIN_7-O-ALPHA-L-RHAMNOPYRANOSIDE-4'-O-(6'''-O-ALPHA-L-RHAMNOPYRANOYL)-BETA-SOPHOROSIDE
SpectraBase Compound ID Hbk8nzgXDQt
InChI InChI=1S/C39H50O23/c1-12-23(42)28(47)32(51)36(56-12)55-11-21-27(46)31(50)35(62-38-34(53)30(49)26(45)20(9-40)60-38)39(61-21)58-15-5-3-14(4-6-15)17-10-54-19-8-16(7-18(41)22(19)25(17)44)59-37-33(52)29(48)24(43)13(2)57-37/h3-8,10,12-13,20-21,23-24,26-43,45-53H,9,11H2,1-2H3/t12-,13+,20-,21-,23-,24+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-/m0/s1
InChIKey MIWHJCSFQVQUHS-OPCIKPGJSA-N
Mol Weight 886.8 g/mol
Molecular Formula C39H50O23
Exact Mass 886.274288 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DniVCIFGvyn
Name GENISTEIN_7-O-ALPHA-L-RHAMNOPYRANOSIDE-4'-O-(6'''-O-ALPHA-L-RHAMNOPYRANOYL)-BETA-SOPHOROSIDE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H50O23
InChI InChI=1S/C39H50O23/c1-12-23(42)28(47)32(51)36(56-12)55-11-21-27(46)31(50)35(62-38-34(53)30(49)26(45)20(9-40)60-38)39(61-21)58-15-5-3-14(4-6-15)17-10-54-19-8-16(7-18(41)22(19)25(17)44)59-37-33(52)29(48)24(43)13(2)57-37/h3-8,10,12-13,20-21,23-24,26-43,45-53H,9,11H2,1-2H3/t12-,13+,20-,21-,23-,24+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-/m0/s1
InChIKey MIWHJCSFQVQUHS-OPCIKPGJSA-N
Literature Reference Author Y.TANG,R.YANG,J.DUAN,E.SHANG,S.SU,M.ZHU,D.QIAN
Literature Reference Citation J.NAT.PROD.,71,448(2008)
Literature Reference DOI 10.1021/np070396t
Molecular Weight 886.812 g/mol
Sample ID 27476
Solvent DMSO-D6
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