| SpectraBase Compound ID | 1A62lTeLgaD |
|---|---|
| InChI | InChI=1S/C37H42O21/c1-17(38)50-16-29-32(54-20(4)41)33(55-21(5)42)34(56-22(6)43)37(57-29)58-36-25(13-30(44)45)24(26(15-51-36)35(47)48-7)14-31(46)49-11-10-23-8-9-27(52-18(2)39)28(12-23)53-19(3)40/h8-9,12-13,15,24,29,32-34,36-37H,10-11,14,16H2,1-7H3,(H,44,45)/b25-13+/t24-,29-,32-,33+,34-,36-,37+/m1/s1 |
| InChIKey | SHKCYBQYIHODTO-ARFWOCCISA-N |
| Mol Weight | 822.7 g/mol |
| Molecular Formula | C37H42O21 |
| Exact Mass | 822.221858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IHUwtWiwWdG |
|---|---|
| Name | OLEUROPEINIC-ACID-HEXAACETATE |
| Compound Number | 194 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42O21 |
| InChI | InChI=1S/C37H42O21/c1-17(38)50-16-29-32(54-20(4)41)33(55-21(5)42)34(56-22(6)43)37(57-29)58-36-25(13-30(44)45)24(26(15-51-36)35(47)48-7)14-31(46)49-11-10-23-8-9-27(52-18(2)39)28(12-23)53-19(3)40/h8-9,12-13,15,24,29,32-34,36-37H,10-11,14,16H2,1-7H3,(H,44,45)/b25-13+/t24-,29-,32-,33+,34-,36-,37+/m1/s1 |
| InChIKey | SHKCYBQYIHODTO-ARFWOCCISA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 822.728 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4565 |