Debug Info

object
{24}
_id
:
K3zzhIGT9TF
compoundID
:
K3zzhIGT9TF
ambiguous
:
false
names
[0]
name
:
3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID
ambiguousSiblings
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hasStructure
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true
recordSources
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properties
{7}
spectrumSourcesMap
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spectrumSourcesMapSuggestedOrder
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otherEnantiomer1Compound
{1}
saltCompounds
[0]
isotopicCompounds
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stereoisomerCompounds
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stereoisomerSaltCompounds
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similarCompounds
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vendors
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articles
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lastUpdated
:
1735071411015
isDeprecated
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false
productInfo
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spectrumSourcesMapCountOriginal
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spectrumSourcesMapCountFiltered
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1

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  • SearchSpectral
  • SearchStructure
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3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-3-BETA,4-ALPHA,16-ALPHA-TRIHYDROXY-23-NOROLEAN-12-EN-28-OIC-ACID
SpectraBase Compound ID K3zzhIGT9TF
InChI InChI=1S/C41H64O16/c1-36(2)13-14-41(35(51)52)19(15-36)18-7-8-21-37(3)11-10-24(40(6,53)22(37)9-12-38(21,4)39(18,5)16-23(41)43)55-34-31(28(47)27(46)30(56-34)32(49)50)57-33-29(48)26(45)25(44)20(17-42)54-33/h7,19-31,33-34,42-48,53H,8-17H2,1-6H3,(H,49,50)(H,51,52)/t19?,20-,21?,22?,23-,24+,25+,26+,27+,28+,29-,30+,31-,33+,34-,37-,38-,39-,40+,41-/m1/s1
InChIKey BLAOWYPSWHVHOA-BYUHVIJWSA-N
Mol Weight 812.9 g/mol
Molecular Formula C41H64O16
Exact Mass 812.419436 g/mol
Enantiomer InChIKey BLAOWYPSWHVHOA-CXTBORLPSA-N
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Title Journal or Book Year
Triterpenoid saponins and sapogenins from Vaccaria segetalis Phytochemistry 1998
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