| SpectraBase Compound ID | 1qfq7PeCxyc |
|---|---|
| InChI | InChI=1S/C43H68O14/c1-21-11-16-43(37(51)57-35-32(50)31(49)30(48)25(19-44)55-35)18-17-40(6)23(34(43)42(21,8)52)9-10-27-39(5)14-13-28(38(3,4)26(39)12-15-41(27,40)7)56-36-33(54-22(2)45)29(47)24(46)20-53-36/h9,21,24-36,44,46-50,52H,10-20H2,1-8H3/t21-,24?,25?,26?,27+,28?,29?,30?,31?,32?,33?,34-,35?,36?,39?,40+,41+,42+,43+/m0/s1 |
| InChIKey | JHZOCRWNPMGWET-UXGACEMHSA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C43H68O14 |
| Exact Mass | 808.460907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yIxvIvdHir |
|---|---|
| Name | Pomolic-acid-3.beta.-O.alpha.-L-2-acetoxyarabinopyranosyl-28-O.beta.-D-glucopyranoside |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H68O14 |
| InChI | InChI=1S/C43H68O14/c1-21-11-16-43(37(51)57-35-32(50)31(49)30(48)25(19-44)55-35)18-17-40(6)23(34(43)42(21,8)52)9-10-27-39(5)14-13-28(38(3,4)26(39)12-15-41(27,40)7)56-36-33(54-22(2)45)29(47)24(46)20-53-36/h9,21,24-36,44,46-50,52H,10-20H2,1-8H3/t21-,24?,25?,26?,27+,28?,29?,30?,31?,32?,33?,34-,35?,36?,39?,40+,41+,42+,43+/m0/s1 |
| InChIKey | JHZOCRWNPMGWET-UXGACEMHSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Phytochem. 25, 913 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |