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SCHEFFLERIN-F;(19R)-LUPAN-19,28-EPOXY-20,29,30-TRINOR-3-BETA,6-ALPHA,21-ALPHA-TRIOL-6-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID FXJTstE1K1n
InChI InChI=1S/C33H54O9/c1-29(2)21(36)8-9-30(3)20-7-6-16-22-26-17(35)12-33(22,15-40-26)11-10-31(16,4)32(20,5)13-18(27(29)30)41-28-25(39)24(38)23(37)19(14-34)42-28/h16-28,34-39H,6-15H2,1-5H3/t16-,17-,18+,19+,20-,21+,22+,23+,24-,25+,26+,27+,28+,30-,31-,32-,33+/m1/s1
InChIKey SZYMNXULDCOSKR-LPCLMMQFSA-N
Mol Weight 594.8 g/mol
Molecular Formula C33H54O9
Exact Mass 594.376783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALvTujYpQjU
Name SCHEFFLERIN-F;(19R)-LUPAN-19,28-EPOXY-20,29,30-TRINOR-3-BETA,6-ALPHA,21-ALPHA-TRIOL-6-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54O9
InChI InChI=1S/C33H54O9/c1-29(2)21(36)8-9-30(3)20-7-6-16-22-26-17(35)12-33(22,15-40-26)11-10-31(16,4)32(20,5)13-18(27(29)30)41-28-25(39)24(38)23(37)19(14-34)42-28/h16-28,34-39H,6-15H2,1-5H3/t16-,17-,18+,19+,20-,21+,22+,23+,24-,25+,26+,27+,28+,30-,31-,32-,33+/m1/s1
InChIKey SZYMNXULDCOSKR-LPCLMMQFSA-N
Literature Reference Author Z.ZHAO,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,Y.TAKEDA,M.KAWAHATA,K .YAMAGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,58,1343(2010)
Literature Reference DOI 10.1248/cpb.58.1343
Molecular Weight 594.786 g/mol
Source File Reference UWBT3923