Debug Info

object
{15}
_id
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7IpSilgfkOO
spectrumID
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7IpSilgfkOO
cost
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specType
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262144
xnmrNucleus
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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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GYPSOGENIC-ACID;3-BETA-HYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID
SpectraBase Compound ID 5BDMmr6LQXq
InChI InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChIKey PAIBKVQNJKUVCE-JUENUIDLSA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 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 7IpSilgfkOO
Name GYPSOGENIC-ACID
Compound Number 4A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
InChIKey PAIBKVQNJKUVCE-JUENUIDLSA-N
Literature Reference Author S.Y.PARK,C.S.YOOK,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,53,1147(2005)
Literature Reference DOI 10.1248/cpb.53.1147
Molecular Weight 486.692 g/mol
Sample ID 54137
Solvent C5D5N
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