| SpectraBase Compound ID | 5NkqP9lvQNr |
|---|---|
| InChI | InChI=1S/C47H72O19/c1-20-28(51)30(53)33(56)38(62-20)65-35-29(52)23(49)18-61-39(35)66-36-32(55)31(54)34(37(57)58)64-40(36)63-27-11-12-44(4)24(45(27,5)19-48)10-13-47(7)25(44)9-8-21-22-16-42(2,41(59)60)17-26(50)43(22,3)14-15-46(21,47)6/h8,20,22-25,27-36,38-40,48-49,51-56H,9-19H2,1-7H3,(H,57,58)(H,59,60)/t20-,22-,23+,24?,25?,27-,28-,29-,30+,31-,32-,33+,34-,35+,36+,38-,39-,40+,42-,43+,44-,45+,46+,47+/m0/s1 |
| InChIKey | SQDFOCSKXIUZKC-FHFAHJMZSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C47H72O19 |
| Exact Mass | 940.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPZEbVaM9ly |
|---|---|
| Name | MELILOTUS-SAPONIN-O-2;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-MELILOTIGENIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O19 |
| InChI | InChI=1S/C47H72O19/c1-20-28(51)30(53)33(56)38(62-20)65-35-29(52)23(49)18-61-39(35)66-36-32(55)31(54)34(37(57)58)64-40(36)63-27-11-12-44(4)24(45(27,5)19-48)10-13-47(7)25(44)9-8-21-22-16-42(2,41(59)60)17-26(50)43(22,3)14-15-46(21,47)6/h8,20,22-25,27-36,38-40,48-49,51-56H,9-19H2,1-7H3,(H,57,58)(H,59,60)/t20-,22-,23+,24?,25?,27-,28-,29-,30+,31-,32-,33+,34-,35+,36+,38-,39-,40+,42-,43+,44-,45+,46+,47+/m0/s1 |
| InChIKey | SQDFOCSKXIUZKC-FHFAHJMZSA-N |
| Literature Reference Author | T.HIRAKAWA,M.OKAWA,J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,286(2000) |
| Literature Reference DOI | 10.1248/cpb.48.286 |
| Molecular Weight | 941.077 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4928 |