Debug Info

object
{15}
_id
:
HwcK4ebVvT5
spectrumID
:
HwcK4ebVvT5
cost
:
1
specType
:
131072
xnmrNucleus
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0
dbLocation
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WMSL3X:120350:1
hasStructureAssignments
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false
properties
{11}
analyticalTechnique
:
MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
:
1735074081058
isDeprecated
:
false

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18-Hydroxy-17-methoxy-15-oxo-ent-(16S)-kaurane
SpectraBase Compound ID 8PwtcOuMHro
InChI InChI=1S/C21H34O3/c1-19(13-22)8-4-9-20(2)16(19)7-10-21-11-14(5-6-17(20)21)15(12-24-3)18(21)23/h14-17,22H,4-13H2,1-3H3/t14-,15+,16-,17+,19-,20-,21-/m1/s1
InChIKey KLHRVPCLMPGWFW-HWPXFKOISA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwcK4ebVvT5
Name 18-Hydroxy-17-methoxy-15-oxo-ent-(16S)-kaurane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-19(13-22)8-4-9-20(2)16(19)7-10-21-11-14(5-6-17(20)21)15(12-24-3)18(21)23/h14-17,22H,4-13H2,1-3H3/t14-,15+,16-,17+,19-,20-,21-/m1/s1
InChIKey KLHRVPCLMPGWFW-HWPXFKOISA-N
Molecular Weight 334.500 g/mol
SMILES OC[C@@]1([C@]2(CC[C@]34C([C@@](COC)([C@@](C4)(CC[C@]3([C@@]2(CCC1)C)[H])[H])[H])=O)[H])C
SPLASH splash10-0udi-0069000000-b82f71db90ae87ea6777
Source of Spectrum F-52-13778-0
Synonyms (4alpha,5beta,8alpha,9beta,10alpha,13alpha)-18-hydroxy-17-methoxykauran-15-one
Wiley ID 799317
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