| SpectraBase Compound ID | 63J2eU8lV4U |
|---|---|
| InChI | InChI=1S/C36H50O13/c1-19(37)43-17-24-28(45-21(3)39)29(46-22(4)40)30(47-23(5)41)31(48-24)49-32(42)35(8)12-9-11-34(7)25(35)10-13-36-15-14-33(6,18-36)27(16-26(34)36)44-20(2)38/h14-15,24-31H,9-13,16-18H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,33-,34-,35+,36+/m0/s1 |
| InChIKey | QSMMOASDQDTUTR-MZMNZOKWSA-N |
| Mol Weight | 690.8 g/mol |
| Molecular Formula | C36H50O13 |
| Exact Mass | 690.325142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73uZFCWZ7jz |
|---|---|
| Name | 12-ACETOXYBEYER-15-ENE-18-CARBOXY-BETA-D-GLUCOPYRANOSIDE-PENTAACETATE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O13 |
| InChI | InChI=1S/C36H50O13/c1-19(37)43-17-24-28(45-21(3)39)29(46-22(4)40)30(47-23(5)41)31(48-24)49-32(42)35(8)12-9-11-34(7)25(35)10-13-36-15-14-33(6,18-36)27(16-26(34)36)44-20(2)38/h14-15,24-31H,9-13,16-18H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,33-,34-,35+,36+/m0/s1 |
| InChIKey | QSMMOASDQDTUTR-MZMNZOKWSA-N |
| Literature Reference Author | W.H.LIN,J.M.FANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,48,1391(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00039-9 |
| Molecular Weight | 690.785 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1498 |