| SpectraBase Compound ID | 544I365Yo9s |
|---|---|
| InChI | InChI=1S/C55H80O18/c1-28(56)36-18-21-55(63)53(36,7)42(70-43(60)15-14-33-12-10-9-11-13-33)27-41-52(6)19-17-35(22-34(52)16-20-54(41,55)62)69-44-23-37(57)49(30(3)66-44)71-45-24-38(58)50(31(4)67-45)72-46-25-39(59)51(32(5)68-46)73-47-26-40(64-8)48(61)29(2)65-47/h9-16,29-32,35-42,44-51,57-59,61-63H,17-27H2,1-8H3/b15-14+/t29-,30-,31-,32-,35-,36-,37+,38+,39+,40-,41+,42+,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54-,55+/m0/s1 |
| InChIKey | APGRJGUCWQWGII-FMPLOXBPSA-N |
| Mol Weight | 1029.2 g/mol |
| Molecular Formula | C55H80O18 |
| Exact Mass | 1028.534466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCAt89to5Xl |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H80O18 |
| InChI | InChI=1S/C55H80O18/c1-28(56)36-18-21-55(63)53(36,7)42(70-43(60)15-14-33-12-10-9-11-13-33)27-41-52(6)19-17-35(22-34(52)16-20-54(41,55)62)69-44-23-37(57)49(30(3)66-44)71-45-24-38(58)50(31(4)67-45)72-46-25-39(59)51(32(5)68-46)73-47-26-40(64-8)48(61)29(2)65-47/h9-16,29-32,35-42,44-51,57-59,61-63H,17-27H2,1-8H3/b15-14+/t29-,30-,31-,32-,35-,36-,37+,38+,39+,40-,41+,42+,44+,45+,46+,47+,48-,49-,50-,51-,52-,53-,54-,55+/m0/s1 |
| InChIKey | APGRJGUCWQWGII-FMPLOXBPSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,53,485(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00560-9 |
| Molecular Weight | 1029.229 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2040 |