| SpectraBase Compound ID | 7vXIAZsKwg7 |
|---|---|
| InChI | InChI=1S/C47H74O17/c1-10-21(2)39(59)64-37-36(56)47(20-49)23(17-42(37,3)4)22-11-12-26-44(7)15-14-28(43(5,6)25(44)13-16-45(26,8)46(22,9)18-27(47)50)61-41-35(32(54)31(53)34(62-41)38(57)58)63-40-33(55)30(52)29(51)24(19-48)60-40/h10-11,23-37,40-41,48-56H,12-20H2,1-9H3,(H,57,58)/b21-10+/t23?,24-,25?,26?,27-,28+,29-,30+,31+,32+,33-,34+,35-,36+,37+,40+,41-,44+,45-,46-,47+/m1/s1 |
| InChIKey | RJRCUVHLGRYUHX-KOTPNBHZSA-N |
| Mol Weight | 911.1 g/mol |
| Molecular Formula | C47H74O17 |
| Exact Mass | 910.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgJwm4yebpz |
|---|---|
| Name | 21-TIGLOYLBARRINGTOGENOL-C-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O17 |
| InChI | InChI=1S/C47H74O17/c1-10-21(2)39(59)64-37-36(56)47(20-49)23(17-42(37,3)4)22-11-12-26-44(7)15-14-28(43(5,6)25(44)13-16-45(26,8)46(22,9)18-27(47)50)61-41-35(32(54)31(53)34(62-41)38(57)58)63-40-33(55)30(52)29(51)24(19-48)60-40/h10-11,23-37,40-41,48-56H,12-20H2,1-9H3,(H,57,58)/b21-10+/t23?,24-,25?,26?,27-,28+,29-,30+,31+,32+,33-,34+,35-,36+,37+,40+,41-,44+,45-,46-,47+/m1/s1 |
| InChIKey | RJRCUVHLGRYUHX-KOTPNBHZSA-N |
| Literature Reference Author | M.K.WANG,H.CAI,S.L.PENG,L.S.DING,F.E.WU,Y.Z.CHEN |
| Literature Reference Citation | PHYTOCHEM.,48,1411(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00850-9 |
| Molecular Weight | 911.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1510 |