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(3S,5R,6S,7E,9S)-MEGASTIGMAN-7-ENE-5,6-EPOXY-3,9-DIOL-3,9-O-BETA-D-DI-GLUCOPYRANOSIDE
SpectraBase Compound ID Dcr3KwNVLBQ
InChI InChI=1S/C25H42O13/c1-11(34-21-19(32)17(30)15(28)13(9-26)36-21)5-6-25-23(2,3)7-12(8-24(25,4)38-25)35-22-20(33)18(31)16(29)14(10-27)37-22/h5-6,11-22,26-33H,7-10H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16-,17-,18+,19+,20-,21+,22-,24-,25+/m1/s1
InChIKey SQTKMGALJXXATL-HZHLASBLSA-N
Mol Weight 550.6 g/mol
Molecular Formula C25H42O13
Exact Mass 550.262541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JO0CE4YVltN
Name (3S,5R,6S,7E,9S)-MEGASTIGMAN-7-ENE-5,6-EPOXY-3,9-DIOL-3,9-O-BETA-D-DI-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42O13
InChI InChI=1S/C25H42O13/c1-11(34-21-19(32)17(30)15(28)13(9-26)36-21)5-6-25-23(2,3)7-12(8-24(25,4)38-25)35-22-20(33)18(31)16(29)14(10-27)37-22/h5-6,11-22,26-33H,7-10H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16-,17-,18+,19+,20-,21+,22-,24-,25+/m1/s1
InChIKey SQTKMGALJXXATL-HZHLASBLSA-N
Literature Reference Author T.KANCHANAPOOM,H.OTSUKA,S.RUCHIRAWAT
Literature Reference Citation CHEM.PHARM.BULL.,55,1277(2007)
Literature Reference DOI 10.1248/cpb.55.1277
Molecular Weight 550.601 g/mol
Sample ID 56143
Solvent CD3OD