| SpectraBase Compound ID | AjYmcY4ztqA |
|---|---|
| InChI | InChI=1S/C48H71NO15/c1-25(50)32-14-17-48(54)46(32,6)37(62-44(52)29-11-10-18-49-24-29)23-36-45(5)15-13-31(19-30(45)12-16-47(36,48)53)61-38-21-34(56-8)42(27(3)59-38)64-40-22-35(57-9)43(28(4)60-40)63-39-20-33(55-7)41(51)26(2)58-39/h10-12,18,24,26-28,31-43,51,53-54H,13-17,19-23H2,1-9H3/t26-,27+,28-,31-,32-,33+,34-,35+,36+,37+,38-,39-,40+,41-,42+,43-,45-,46-,47-,48+/m0/s1 |
| InChIKey | UMMNCNAMGMPXAK-XZJRWPOFSA-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 | LKuwejIHbxH |
|---|---|
| Name | 12-O-NICOTINOYLLINEOLON-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 5 |
| 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)32-14-17-48(54)46(32,6)37(62-44(52)29-11-10-18-49-24-29)23-36-45(5)15-13-31(19-30(45)12-16-47(36,48)53)61-38-21-34(56-8)42(27(3)59-38)64-40-22-35(57-9)43(28(4)60-40)63-39-20-33(55-7)41(51)26(2)58-39/h10-12,18,24,26-28,31-43,51,53-54H,13-17,19-23H2,1-9H3/t26-,27+,28-,31-,32-,33+,34-,35+,36+,37+,38-,39-,40+,41-,42+,43-,45-,46-,47-,48+/m0/s1 |
| InChIKey | UMMNCNAMGMPXAK-XZJRWPOFSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,358(1996) |
| Literature Reference DOI | 10.1248/cpb.44.358 |
| Molecular Weight | 902.089 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU31459 |