![OBTUSINE-20(R)-O-[BETA-THEVETOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE]](/api/spectrum/1kHIqXmoocC/structure.png?h=300&w=458 "OBTUSINE-20(R)-O-[BETA-THEVETOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE]")
| SpectraBase Compound ID | GPMpbgSsqn6 |
|---|---|
| InChI | InChI=1S/C38H63NO12/c1-18-28(41)32(46-8)29(42)34(49-18)51-30-19(2)48-26(16-25(30)45-7)50-20(3)38(44)33-31(47-17-37(6,43)39-33)27-23-10-9-21-15-22(40)11-13-35(21,4)24(23)12-14-36(27,38)5/h9,18-20,22-34,39-44H,10-17H2,1-8H3/t18-,19+,20-,22-,23?,24?,25-,26-,27?,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38-/m0/s1 |
| InChIKey | JZWBAVLCSSNGAA-PATSYLGVSA-N |
| Mol Weight | 725.9 g/mol |
| Molecular Formula | C38H63NO12 |
| Exact Mass | 725.435026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kHIqXmoocC |
|---|---|
| Name | OBTUSINE-20(R)-O-[BETA-THEVETOPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H63NO12 |
| InChI | InChI=1S/C38H63NO12/c1-18-28(41)32(46-8)29(42)34(49-18)51-30-19(2)48-26(16-25(30)45-7)50-20(3)38(44)33-31(47-17-37(6,43)39-33)27-23-10-9-21-15-22(40)11-13-35(21,4)24(23)12-14-36(27,38)5/h9,18-20,22-34,39-44H,10-17H2,1-8H3/t18-,19+,20-,22-,23?,24?,25-,26-,27?,28-,29-,30+,31+,32+,33-,34+,35-,36-,37-,38-/m0/s1 |
| InChIKey | JZWBAVLCSSNGAA-PATSYLGVSA-N |
| Literature Reference Author | A.PAULO,M.L.JIMENO,E.T.GOMES,P.J.HOUGHTON |
| Literature Reference Citation | PHYTOCHEM.,53,417(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00568-3 |
| Molecular Weight | 725.918 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU2011 |