| SpectraBase Compound ID | 4kd38o7zafX |
|---|---|
| InChI | InChI=1S/C48H71NO15/c1-25(50)31-15-18-48(54)46(31,6)37(62-44(52)32-12-10-11-19-49-32)24-36-45(5)16-14-30(20-29(45)13-17-47(36,48)53)61-38-22-34(56-8)42(27(3)59-38)64-40-23-35(57-9)43(28(4)60-40)63-39-21-33(55-7)41(51)26(2)58-39/h10-13,19,26-28,30-31,33-43,51,53-54H,14-18,20-24H2,1-9H3/t26-,27-,28+,30+,31+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m1/s1 |
| InChIKey | JUAJLUJEPZFAIN-WQWRGIRTSA-N |
| Mol Weight | 902.1 g/mol |
| Molecular Formula | C48H71NO15 |
| Exact Mass | 901.482371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIjGkYASZ3x |
|---|---|
| Name | 12-O-NICOTINOYLLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H71NO15 |
| InChI | InChI=1S/C48H71NO15/c1-25(50)31-15-18-48(54)46(31,6)37(62-44(52)32-12-10-11-19-49-32)24-36-45(5)16-14-30(20-29(45)13-17-47(36,48)53)61-38-22-34(56-8)42(27(3)59-38)64-40-23-35(57-9)43(28(4)60-40)63-39-21-33(55-7)41(51)26(2)58-39/h10-13,19,26-28,30-31,33-43,51,53-54H,14-18,20-24H2,1-9H3/t26-,27-,28+,30+,31+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m1/s1 |
| InChIKey | JUAJLUJEPZFAIN-WQWRGIRTSA-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 | 902.089 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5017 |