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TRIGONEOSIDE-XB;#2;26-O-BETA-D-GLUCOPYRANOSYL-(25R)-5-ALPHA-FUROSTANE-2-ALPHA,3-BETA,22-XI,26-TETRAOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID HfAhmZVLkeR
InChI InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3/t18-,19-,20+,21-,22+,23-,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43-,44-,45?/m0/s1
InChIKey WROHFEWGWYQNPP-UQGYQLBCSA-N
Mol Weight 921.1 g/mol
Molecular Formula C45H76O19
Exact Mass 920.49808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IY6PZvUz54f
Name TRIGONEOSIDE-XB;#2;26-O-BETA-D-GLUCOPYRANOSYL-(25R)-5-ALPHA-FUROSTANE-2-ALPHA,3-BETA,22-XI,26-TETRAOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H76O19
InChI InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3/t18-,19-,20+,21-,22+,23-,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43-,44-,45?/m0/s1
InChIKey WROHFEWGWYQNPP-UQGYQLBCSA-N
Literature Reference Author T.MURAKAMI,A.KISHI,H.MATSUDA,M.YOSHIKAWA
Literature Reference Citation CHEM.PHARM.BULL.,48,994(2000)
Literature Reference DOI 10.1248/cpb.48.994
Molecular Weight 921.087 g/mol
Solvent C5D5N
Source File Reference UWVN4339