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TRIFOSTIGMANOSIDE-I;(6S,7E,9R)-6,9-DIHYDROXYMEGASTIGMA-4,7-DIEN-3-ONE-9-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 6SFvrpWzSfR
InChI InChI=1S/C24H38O12/c1-12-7-14(27)8-22(3,4)24(12,32)6-5-13(2)34-20-18(17(29)16(28)15(9-25)35-20)36-21-19(30)23(31,10-26)11-33-21/h5-7,13,15-21,25-26,28-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20-,21+,23-,24-/m1/s1
InChIKey ZUOHPMUWXJPXFB-CWRBFIIMSA-N
Mol Weight 518.6 g/mol
Molecular Formula C24H38O12
Exact Mass 518.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54eX3tKtJWa
Name TRIFOSTIGMANOSIDE-I;(6S,7E,9R)-6,9-DIHYDROXYMEGASTIGMA-4,7-DIEN-3-ONE-9-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H38O12
InChI InChI=1S/C24H38O12/c1-12-7-14(27)8-22(3,4)24(12,32)6-5-13(2)34-20-18(17(29)16(28)15(9-25)35-20)36-21-19(30)23(31,10-26)11-33-21/h5-7,13,15-21,25-26,28-32H,8-11H2,1-4H3/b6-5+/t13-,15-,16-,17+,18-,19+,20-,21+,23-,24-/m1/s1
InChIKey ZUOHPMUWXJPXFB-CWRBFIIMSA-N
Literature Reference Author K.M.MOHAMED,M.H.MOHAMED,K.OHTANI,R.KASAI,K.YAMASAKI
Literature Reference Citation PHYTOCHEM.,50,859(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00603-7
Molecular Weight 518.559 g/mol
Solvent CD3OD