SpectraBase Compound ID | 8xqHvYM5STD |
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InChI | InChI=1S/C57H84O22/c1-28-47(77-42-25-36(69-8)48(29(2)72-42)78-52-46(64)50(70-9)49(30(3)73-52)79-51-45(63)44(62)43(61)37(27-58)75-51)35(68-7)24-41(71-28)74-34-18-19-53(5)33(23-34)17-20-56(66)38(53)26-39(76-40(60)16-15-32-13-11-10-12-14-32)54(6)55(65,31(4)59)21-22-57(54,56)67/h10-17,28-30,34-39,41-52,58,61-67H,18-27H2,1-9H3/b16-15+/t28-,29+,30-,34+,35+,36-,37+,38?,39-,41+,42-,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-/m1/s1 |
InChIKey | CBAZUPHAXPSNQN-LWWABNHISA-N |
Mol Weight | 1121.3 g/mol |
Molecular Formula | C57H84O22 |
Exact Mass | 1120.545424 g/mol |
SpectraBase Spectrum ID | 171Jx0frDga |
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Name | ALPINOSIDE-B;KIDJOLANIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C57H84O22 |
InChI | InChI=1S/C57H84O22/c1-28-47(77-42-25-36(69-8)48(29(2)72-42)78-52-46(64)50(70-9)49(30(3)73-52)79-51-45(63)44(62)43(61)37(27-58)75-51)35(68-7)24-41(71-28)74-34-18-19-53(5)33(23-34)17-20-56(66)38(53)26-39(76-40(60)16-15-32-13-11-10-12-14-32)54(6)55(65,31(4)59)21-22-57(54,56)67/h10-17,28-30,34-39,41-52,58,61-67H,18-27H2,1-9H3/b16-15+/t28-,29+,30-,34+,35+,36-,37+,38?,39-,41+,42-,43+,44-,45+,46-,47-,48+,49-,50-,51-,52+,53+,54-,55-,56+,57-/m1/s1 |
InChIKey | CBAZUPHAXPSNQN-LWWABNHISA-N |
Literature Reference Author | A.I.HAMED,M.G.SHEDED,A.E.S.M.SHAHEEN,F.A.HAMADA,C.PIZZA,S.PI ACENTE |
Literature Reference Citation | PHYTOCHEM.,65,975(2004) |
Literature Reference DOI | 10.1016/j.phytochem.2004.01.022 |
Molecular Weight | 1121.281 g/mol |
Solvent | CD3OD |
Source File Reference | UWVN31268 |