| SpectraBase Compound ID | JUiJduqqS7v |
|---|---|
| InChI | InChI=1S/C57H68O30/c1-25-46(78-31(7)62)49(80-33(9)64)52(82-35(11)66)56(72-25)71-24-44-48(86-45(69)19-16-38-14-17-40(74-27(3)58)42(22-38)76-29(5)60)51(87-57-54(84-37(13)68)50(81-34(10)65)47(26(2)73-57)79-32(8)63)53(83-36(12)67)55(85-44)70-21-20-39-15-18-41(75-28(4)59)43(23-39)77-30(6)61/h14-19,22-23,25-26,44,46-57H,20-21,24H2,1-13H3/b19-16+/t25-,26-,44-,46-,47-,48-,49+,50+,51+,52+,53-,54+,55-,56+,57-/m0/s1 |
| InChIKey | MATSZZGIQGRMAP-KAMXKSGTSA-N |
| Mol Weight | 1233.1 g/mol |
| Molecular Formula | C57H68O30 |
| Exact Mass | 1232.379541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbGnS4XA5t5 |
|---|---|
| Name | BRANDIOSIDE-DECAACETATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H68O30 |
| InChI | InChI=1S/C57H68O30/c1-25-46(78-31(7)62)49(80-33(9)64)52(82-35(11)66)56(72-25)71-24-44-48(86-45(69)19-16-38-14-17-40(74-27(3)58)42(22-38)76-29(5)60)51(87-57-54(84-37(13)68)50(81-34(10)65)47(26(2)73-57)79-32(8)63)53(83-36(12)67)55(85-44)70-21-20-39-15-18-41(75-28(4)59)43(23-39)77-30(6)61/h14-19,22-23,25-26,44,46-57H,20-21,24H2,1-13H3/b19-16+/t25-,26-,44-,46-,47-,48-,49+,50+,51+,52+,53-,54+,55-,56+,57-/m0/s1 |
| InChIKey | MATSZZGIQGRMAP-KAMXKSGTSA-N |
| Literature Reference Author | Z.D.HE,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,30,701(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83759-E |
| Molecular Weight | 1233.149 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32369 |