| SpectraBase Compound ID | Iginlm494sW |
|---|---|
| InChI | InChI=1S/C38H44O21/c1-18(39)51-17-30-33(55-21(4)42)34(56-22(5)43)35(57-23(6)44)38(58-30)59-37-26(15-31(45)48-7)25(27(16-52-37)36(47)49-8)14-32(46)50-12-11-24-9-10-28(53-19(2)40)29(13-24)54-20(3)41/h9-10,13,15-16,25,30,33-35,37-38H,11-12,14,17H2,1-8H3/b26-15+/t25-,30-,33-,34+,35-,37-,38+/m1/s1 |
| InChIKey | VRZRYPBBJVCPQY-YIRFYADISA-N |
| Mol Weight | 836.7 g/mol |
| Molecular Formula | C38H44O21 |
| Exact Mass | 836.237508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6nhC9zEaGhX |
|---|---|
| Name | OLEUROPEINIC-ACID-METHYLESTER-HEXAACETATE |
| Compound Number | 1 96 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44O21 |
| InChI | InChI=1S/C38H44O21/c1-18(39)51-17-30-33(55-21(4)42)34(56-22(5)43)35(57-23(6)44)38(58-30)59-37-26(15-31(45)48-7)25(27(16-52-37)36(47)49-8)14-32(46)50-12-11-24-9-10-28(53-19(2)40)29(13-24)54-20(3)41/h9-10,13,15-16,25,30,33-35,37-38H,11-12,14,17H2,1-8H3/b26-15+/t25-,30-,33-,34+,35-,37-,38+/m1/s1 |
| InChIKey | VRZRYPBBJVCPQY-YIRFYADISA-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 | 836.755 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4567 |