Debug Info

object
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_id
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IcxPDIQfVLK
spectrumID
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IcxPDIQfVLK
cost
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specType
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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QUERCETIN-3-SOPHOROSIDE
SpectraBase Compound ID Iz3G3Lby0Bm
InChI InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChIKey RDUAJIJVNHKTQC-UJECXLDQSA-N
Mol Weight 626.52 g/mol
Molecular Formula C27H30O17
Exact Mass 626.148299 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 IcxPDIQfVLK
Name QUERCETIN_3-O-SOPHOROSIDE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O17
InChI InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
InChIKey RDUAJIJVNHKTQC-UJECXLDQSA-N
Literature Reference Author M.VEIT,H.GEIGER,F.C.CZYGAN,K.R.MARKHAM
Literature Reference Citation PHYTOCHEM.,29,2555(1990)
Literature Reference DOI 10.1016/0031-9422(90)85187-K
Molecular Weight 626.525 g/mol
Solvent DMSO-D6
Source File Reference UWMZ21105
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