| SpectraBase Compound ID | GBwCpl98wcm |
|---|---|
| InChI | InChI=1S/C58H92O23/c1-12-26(2)53(66)77-41-24-40-55(8)16-14-33(19-32(55)13-17-57(40,67)58(68)18-15-34(27(3)60)56(41,58)9)75-44-22-37(69-10)51(30(6)73-44)80-43-21-36(62)49(28(4)72-43)78-42-20-35(61)50(29(5)71-42)79-45-23-38(70-11)52(31(7)74-45)81-54-48(65)47(64)46(63)39(25-59)76-54/h12-13,28-31,33-52,54,59,61-65,67-68H,14-25H2,1-11H3/b26-12+/t28-,29-,30+,31-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51+,52-,54-,55-,56-,57-,58+/m0/s1 |
| InChIKey | BPRSZYIBALLGOU-SWMDAEBDSA-N |
| Mol Weight | 1157.4 g/mol |
| Molecular Formula | C58H92O23 |
| Exact Mass | 1156.602939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ko8w5aB1n8 |
|---|---|
| Name | 12-O-TIGLOYLISOLINEOLON-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYR |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H92O23 |
| InChI | InChI=1S/C58H92O23/c1-12-26(2)53(66)77-41-24-40-55(8)16-14-33(19-32(55)13-17-57(40,67)58(68)18-15-34(27(3)60)56(41,58)9)75-44-22-37(69-10)51(30(6)73-44)80-43-21-36(62)49(28(4)72-43)78-42-20-35(61)50(29(5)71-42)79-45-23-38(70-11)52(31(7)74-45)81-54-48(65)47(64)46(63)39(25-59)76-54/h12-13,28-31,33-52,54,59,61-65,67-68H,14-25H2,1-11H3/b26-12+/t28-,29-,30+,31-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51+,52-,54-,55-,56-,57-,58+/m0/s1 |
| InChIKey | BPRSZYIBALLGOU-SWMDAEBDSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 1157.355 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5027 |