![12-O-NICOTINOYLLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSIDE]](/api/spectrum/AiJ1aRzAmWj/structure.png?h=300&w=458 "12-O-NICOTINOYLLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSIDE]")
| SpectraBase Compound ID | 7lvlqoPkBhD |
|---|---|
| InChI | InChI=1S/C52H77NO18/c1-25(54)33-13-16-52(61)50(33,7)39(68-48(59)30-10-9-17-53-24-30)23-38-49(6)14-12-32(18-31(49)11-15-51(38,52)60)67-40-19-34(55)45(27(3)64-40)69-41-20-35(56)46(28(4)65-41)70-42-21-36(57)47(29(5)66-42)71-43-22-37(62-8)44(58)26(2)63-43/h9-11,17,24,26-29,32-47,55-58,60-61H,12-16,18-23H2,1-8H3/t26-,27-,28-,29-,32-,33-,34+,35+,36+,37-,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,49-,50-,51-,52+/m0/s1 |
| InChIKey | LAGSYIHWUWLKLY-QKROFAMYSA-N |
| Mol Weight | 1004.2 g/mol |
| Molecular Formula | C52H77NO18 |
| Exact Mass | 1003.514065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AiJ1aRzAmWj |
|---|---|
| Name | 12-O-NICOTINOYLLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSIDE] |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H77NO18 |
| InChI | InChI=1S/C52H77NO18/c1-25(54)33-13-16-52(61)50(33,7)39(68-48(59)30-10-9-17-53-24-30)23-38-49(6)14-12-32(18-31(49)11-15-51(38,52)60)67-40-19-34(55)45(27(3)64-40)69-41-20-35(56)46(28(4)65-41)70-42-21-36(57)47(29(5)66-42)71-43-22-37(62-8)44(58)26(2)63-43/h9-11,17,24,26-29,32-47,55-58,60-61H,12-16,18-23H2,1-8H3/t26-,27-,28-,29-,32-,33-,34+,35+,36+,37-,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,49-,50-,51-,52+/m0/s1 |
| InChIKey | LAGSYIHWUWLKLY-QKROFAMYSA-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 | 1004.179 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU2041 |