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object
{15}
_id
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E8GaHq2PQYh
spectrumID
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E8GaHq2PQYh
cost
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1
specType
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262144
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WRX:214165:1
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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PATRINOVALEROSIDATE;1-O-ISOVALEROXYL-11-O-BETA-D-GLUCOPYRANOSYL-JATAMANIN-J
SpectraBase Compound ID 4jjqfOJIJW7
InChI InChI=1S/C21H36O10/c1-10(2)5-16(24)29-9-13-12(6-15(23)21(13,4)28)11(3)8-30-20-19(27)18(26)17(25)14(7-22)31-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+,17+,18-,19+,20+,21+/m1/s1
InChIKey FXNXGISWKWCXRW-QLPIMFLXSA-N
Mol Weight 448.5 g/mol
Molecular Formula C21H36O10
Exact Mass 448.230847 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 E8GaHq2PQYh
Name PATRINOVALEROSIDATE;1-O-ISOVALEROXYL-11-O-BETA-D-GLUCOPYRANOSYL-JATAMANIN-J
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O10
InChI InChI=1S/C21H36O10/c1-10(2)5-16(24)29-9-13-12(6-15(23)21(13,4)28)11(3)8-30-20-19(27)18(26)17(25)14(7-22)31-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+,17+,18-,19+,20+,21+/m1/s1
InChIKey FXNXGISWKWCXRW-QLPIMFLXSA-N
Literature Reference Author J.Y.LEE,J.S.KIM,Y.S.KIM,S.S.KANG
Literature Reference Citation CHEM.PHARM.BULL.,61,971(2013)
Literature Reference DOI 10.1248/cpb.c13-00306
Molecular Weight 448.511 g/mol
Source File Reference UWIR4139
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