| SpectraBase Compound ID | 4RSqMT2YPiI |
|---|---|
| InChI | InChI=1S/C53H76O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(49(52(35,53)7)66-31(5)55)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-17,19,28-30,34-38,40-50,57-59H,18,20-26H2,1-10H3/b19-16+/t28-,29-,30+,34?,35-,36-,37+,38-,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,50+,51+,52+,53+/m1/s1 |
| InChIKey | GJOQBPFFARDVCX-QUPWTVQKSA-N |
| Mol Weight | 985.2 g/mol |
| Molecular Formula | C53H76O17 |
| Exact Mass | 984.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FV76GBztjBt |
|---|---|
| Name | DREVOGENIN-C-3-O-3-O-METHYL-6-DEOXY-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H76O17 |
| InChI | InChI=1S/C53H76O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(49(52(35,53)7)66-31(5)55)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-17,19,28-30,34-38,40-50,57-59H,18,20-26H2,1-10H3/b19-16+/t28-,29-,30+,34?,35-,36-,37+,38-,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,50+,51+,52+,53+/m1/s1 |
| InChIKey | GJOQBPFFARDVCX-QUPWTVQKSA-N |
| Literature Reference Author | S.I.YOSHIMURA,H.NARITA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,3971(1983) |
| Literature Reference DOI | 10.1248/cpb.31.3971 |
| Molecular Weight | 985.176 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1191 |