| SpectraBase Compound ID | LixGynU3rH |
|---|---|
| InChI | InChI=1S/C49H78O18/c1-23-42(54)35(57-9)21-41(59-23)66-44-25(3)60-38(19-33(44)52)65-43-24(2)61-39(20-34(43)53)67-45-26(4)62-40(22-36(45)58-10)64-30-13-14-46(7)29(17-30)11-12-31-32(46)18-37(63-28(6)51)47(8)48(55,27(5)50)15-16-49(31,47)56/h11,23-26,30-45,52-56H,12-22H2,1-10H3/t23-,24-,25-,26+,30-,31?,32?,33-,34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,49-/m0/s1 |
| InChIKey | WQHNOBHMWYBRHE-YNLDIGBESA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C49H78O18 |
| Exact Mass | 954.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Kuh0pI38kI |
|---|---|
| Name | 12-O-ACETYLPERGULARIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-CANAROPYRANOSYL-(1->4)-BETA-CANAROPYRANOSYL-(1->4)-BETA-OLEANDROPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O18 |
| InChI | InChI=1S/C49H78O18/c1-23-42(54)35(57-9)21-41(59-23)66-44-25(3)60-38(19-33(44)52)65-43-24(2)61-39(20-34(43)53)67-45-26(4)62-40(22-36(45)58-10)64-30-13-14-46(7)29(17-30)11-12-31-32(46)18-37(63-28(6)51)47(8)48(55,27(5)50)15-16-49(31,47)56/h11,23-26,30-45,52-56H,12-22H2,1-10H3/t23-,24-,25-,26+,30-,31?,32?,33-,34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,49-/m0/s1 |
| InChIKey | WQHNOBHMWYBRHE-YNLDIGBESA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
| Molecular Weight | 955.148 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU877 |