| SpectraBase Compound ID | LVuOh54SNYD |
|---|---|
| InChI | InChI=1S/C57H84O18/c1-30(58)38-20-23-57(63)55(38,7)44(72-45(60)17-16-35-14-12-11-13-15-35)29-43-54(6)21-19-37(24-36(54)18-22-56(43,57)62)71-47-27-41(65-9)52(33(4)69-47)74-46-25-39(59)51(32(3)68-46)73-49-28-42(66-10)53(34(5)70-49)75-48-26-40(64-8)50(61)31(2)67-48/h11-18,31-34,37-44,46-53,59,61-63H,19-29H2,1-10H3/b17-16+/t31-,32-,33+,34+,37-,38-,39+,40+,41-,42-,43+,44+,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57+/m0/s1 |
| InChIKey | ZBLGRGFTIAQRIW-MZNCWMQOSA-N |
| Mol Weight | 1057.3 g/mol |
| Molecular Formula | C57H84O18 |
| Exact Mass | 1056.565766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CzHmbK9yXX |
|---|---|
| Name | #11;SYRIACOSIDE-I;IKEMAGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H84O18 |
| InChI | InChI=1S/C57H84O18/c1-30(58)38-20-23-57(63)55(38,7)44(72-45(60)17-16-35-14-12-11-13-15-35)29-43-54(6)21-19-37(24-36(54)18-22-56(43,57)62)71-47-27-41(65-9)52(33(4)69-47)74-46-25-39(59)51(32(3)68-46)73-49-28-42(66-10)53(34(5)70-49)75-48-26-40(64-8)50(61)31(2)67-48/h11-18,31-34,37-44,46-53,59,61-63H,19-29H2,1-10H3/b17-16+/t31-,32-,33+,34+,37-,38-,39+,40+,41-,42-,43+,44+,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57+/m0/s1 |
| InChIKey | ZBLGRGFTIAQRIW-MZNCWMQOSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,177(2009) |
| Literature Reference DOI | 10.1248/cpb.57.177 |
| Molecular Weight | 1057.283 g/mol |
| Sample ID | 2243 |
| Solvent | C5D5N |