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(3S,4S,18S)-18-O-BETA-D-GLUCOPYRANOSIDE-PROTOCONSTIPATIC-ACID
SpectraBase Compound ID IdfFOYCNSlf
InChI InChI=1S/C27H46O10/c1-17(35-27-24(31)23(30)22(29)20(16-28)37-27)14-12-10-8-6-4-3-5-7-9-11-13-15-19-21(25(32)33)18(2)26(34)36-19/h17,19-24,27-31H,2-16H2,1H3,(H,32,33)/t17-,19-,20-,21-,22-,23+,24-,27-/m0/s1
InChIKey BQMKIYAUBIGCRK-RFRMSXJQSA-N
Mol Weight 530.7 g/mol
Molecular Formula C27H46O10
Exact Mass 530.309098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Foj8ixSNTP1
Name (3S,4S,18S)-18-O-BETA-D-GLUCOPYRANOSIDE-PROTOCONSTIPATIC-ACID
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O10
InChI InChI=1S/C27H46O10/c1-17(35-27-24(31)23(30)22(29)20(16-28)37-27)14-12-10-8-6-4-3-5-7-9-11-13-15-19-21(25(32)33)18(2)26(34)36-19/h17,19-24,27-31H,2-16H2,1H3,(H,32,33)/t17-,19-,20-,21-,22-,23+,24-,27-/m0/s1
InChIKey BQMKIYAUBIGCRK-RFRMSXJQSA-N
Literature Reference Author T.REZANKA,I.A.GUSCHINA
Literature Reference Citation PHYTOCHEM.,54,635(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00147-3
Molecular Weight 530.656 g/mol
Solvent Unknown
Source File Reference UWLU1398