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object
{15}
_id
:
5VhsD2V8bJw
spectrumID
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5VhsD2V8bJw
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:271502:1
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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false
spectralOutlier
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compound
{10}
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1735074081058
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RUBUSIDE_H;2-ALPHA,3-BETA,23-TRIHYDROXY-URS-11,13-(18)-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID B0QqIykiq9Z
InChI InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1
InChIKey YINSJSDSZOATAN-BHYVQMTLSA-N
Mol Weight 648.8 g/mol
Molecular Formula C36H56O10
Exact Mass 648.387348 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 5VhsD2V8bJw
Name RUBUSIDE_H;2-ALPHA,3-BETA,23-TRIHYDROXY-URS-11,13-(18)-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O10
InChI InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7-8,18-19,21-24,26-30,37-43H,9-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1
InChIKey YINSJSDSZOATAN-BHYVQMTLSA-N
Literature Reference Author W.LI,H.FU,H.BAI,T.SASAKI,H.KATO,K.KOIKE
Literature Reference Citation J.NAT.PROD.,72,1755(2009)
Literature Reference DOI 10.1021/np900237a
Molecular Weight 648.835 g/mol
Sample ID 33622
Solvent C5D5N
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