Debug Info

object
{15}
_id
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2ClpNNh3Nbt
spectrumID
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2ClpNNh3Nbt
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:97614:1
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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spectralOutlier
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compound
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1735074081058
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7-BETA,16-ALPHA,17,18-TETRAACETOXY-ENT-KAURANE
SpectraBase Compound ID 18XQ3d8bzAc
InChI InChI=1S/C28H42O8/c1-17(29)33-15-25(5)10-7-11-26(6)22-9-8-21-13-27(22,24(12-23(25)26)35-19(3)31)14-28(21,36-20(4)32)16-34-18(2)30/h21-24H,7-16H2,1-6H3/t21-,22+,23?,24+,25-,26+,27-,28+/m1/s1
InChIKey HENFFGUMXUVDQV-DGCMVCTBSA-N
Mol Weight 506.6 g/mol
Molecular Formula C28H42O8
Exact Mass 506.287968 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 2ClpNNh3Nbt
Name 7-BETA,16-ALPHA,17,18-TETRAACETOXY-ENT-KAURANE
Compound Number 9
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O8
InChI InChI=1S/C28H42O8/c1-17(29)33-15-25(5)10-7-11-26(6)22-9-8-21-13-27(22,24(12-23(25)26)35-19(3)31)14-28(21,36-20(4)32)16-34-18(2)30/h21-24H,7-16H2,1-6H3/t21-,22+,23?,24+,25-,26+,27-,28+/m1/s1
InChIKey HENFFGUMXUVDQV-DGCMVCTBSA-N
Literature Reference Author B.M.FRAGA,L.ALVAREZ,S.SUAREZ
Literature Reference Citation J.NAT.PROD.,66,327(2003)
Literature Reference DOI 10.1021/np020420x
Molecular Weight 506.637 g/mol
Solvent CDCl3
Source File Reference UWSI4588
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