SpectraBase Compound ID | BtgScrjjIMq |
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InChI | InChI=1S/C55H90O25/c1-21-8-13-55(71-18-21)22(2)34-31(80-55)15-28-26-7-6-24-14-25(9-11-53(24,4)27(26)10-12-54(28,34)5)73-51-46(78-50-42(67)39(64)35(60)23(3)72-50)43(68)44(33(17-57)75-51)76-52-47(79-49-41(66)37(62)30(59)20-70-49)45(38(63)32(16-56)74-52)77-48-40(65)36(61)29(58)19-69-48/h21-52,56-68H,6-20H2,1-5H3/t21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54-,55-/m0/s1 |
InChIKey | YYCFEJVBMMGRLX-IYQHFDGUSA-N |
Mol Weight | 1151.3 g/mol |
Molecular Formula | C55H90O25 |
Exact Mass | 1150.577118 g/mol |
SpectraBase Spectrum ID | GYzibx0Omq6 |
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Name | #7;TRIBULOSIN;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOS |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C55H90O25 |
InChI | InChI=1S/C55H90O25/c1-21-8-13-55(71-18-21)22(2)34-31(80-55)15-28-26-7-6-24-14-25(9-11-53(24,4)27(26)10-12-54(28,34)5)73-51-46(78-50-42(67)39(64)35(60)23(3)72-50)43(68)44(33(17-57)75-51)76-52-47(79-49-41(66)37(62)30(59)20-70-49)45(38(63)32(16-56)74-52)77-48-40(65)36(61)29(58)19-69-48/h21-52,56-68H,6-20H2,1-5H3/t21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54-,55-/m0/s1 |
InChIKey | YYCFEJVBMMGRLX-IYQHFDGUSA-N |
Literature Reference Author | H.ACHENBACH,H.HUEBNER,W.BRANDT,M.REITER |
Literature Reference Citation | PHYTOCHEM.,35,1527(1994) |
Literature Reference DOI | 10.1016/S0031-9422(00)86890-9 |
Molecular Weight | 1151.305 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU25289 |