| SpectraBase Compound ID | IQmWkRmCC81 |
|---|---|
| InChI | InChI=1S/C58H86O19/c1-30(59)38-21-24-58(64)56(38,7)43(74-44(60)18-17-35-15-13-12-14-16-35)29-42-55(6)22-20-37(25-36(55)19-23-57(42,58)63)73-45-26-39(65-8)50(32(3)69-45)75-46-27-40(66-9)51(33(4)70-46)76-47-28-41(67-10)52(34(5)71-47)77-54-49(62)53(68-11)48(61)31(2)72-54/h12-19,31-34,37-43,45-54,61-64H,20-29H2,1-11H3/b18-17+/t31?,32?,33?,34?,37-,38-,39-,40+,41-,42+,43+,45-,46+,47-,48-,49-,50+,51-,52+,53+,54+,55-,56-,57-,58+/m0/s1 |
| InChIKey | HJNZDAJLZVYELM-ZDHBEKQMSA-N |
| Mol Weight | 1087.3 g/mol |
| Molecular Formula | C58H86O19 |
| Exact Mass | 1086.576331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 635Cz3XGaEQ |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H86O19 |
| InChI | InChI=1S/C58H86O19/c1-30(59)38-21-24-58(64)56(38,7)43(74-44(60)18-17-35-15-13-12-14-16-35)29-42-55(6)22-20-37(25-36(55)19-23-57(42,58)63)73-45-26-39(65-8)50(32(3)69-45)75-46-27-40(66-9)51(33(4)70-46)76-47-28-41(67-10)52(34(5)71-47)77-54-49(62)53(68-11)48(61)31(2)72-54/h12-19,31-34,37-43,45-54,61-64H,20-29H2,1-11H3/b18-17+/t31?,32?,33?,34?,37-,38-,39-,40+,41-,42+,43+,45-,46+,47-,48-,49-,50+,51-,52+,53+,54+,55-,56-,57-,58+/m0/s1 |
| InChIKey | HJNZDAJLZVYELM-ZDHBEKQMSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1087.309 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20260 |