| SpectraBase Compound ID | 46agn5oubXy |
|---|---|
| InChI | InChI=1S/C59H96O28/c1-23-34(65)38(69)42(73)49(80-23)85-46-28(19-61)82-48(45(76)41(46)72)79-21-29-37(68)40(71)44(75)51(83-29)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64)84-52-47(35(66)26(63)20-78-52)86-50-43(74)39(70)36(67)27(18-60)81-50/h8,23,25-52,60-76H,9-22H2,1-7H3/t23-,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-,55-,56-,57+,58+,59+/m0/s1 |
| InChIKey | VRSHQLRQGYRCIM-JZVBVHEQSA-N |
| Mol Weight | 1253.4 g/mol |
| Molecular Formula | C59H96O28 |
| Exact Mass | 1252.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BaAiSh2tXU |
|---|---|
| Name | #3;CAULOSIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYLCAULOPHYLLOGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O28 |
| InChI | InChI=1S/C59H96O28/c1-23-34(65)38(69)42(73)49(80-23)85-46-28(19-61)82-48(45(76)41(46)72)79-21-29-37(68)40(71)44(75)51(83-29)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64)84-52-47(35(66)26(63)20-78-52)86-50-43(74)39(70)36(67)27(18-60)81-50/h8,23,25-52,60-76H,9-22H2,1-7H3/t23-,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-,55-,56-,57+,58+,59+/m0/s1 |
| InChIKey | VRSHQLRQGYRCIM-JZVBVHEQSA-N |
| Literature Reference Author | Z.ALI,I.A.KHAN |
| Literature Reference Citation | PHYTOCHEM.,69,1037(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.10.011 |
| Molecular Weight | 1253.394 g/mol |
| Sample ID | 43277 |
| Solvent | C5D5N |