| SpectraBase Compound ID | 79vmDS0BQDK |
|---|---|
| InChI | InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1 |
| InChIKey | WRXVPTMENPZUIZ-QEZWUOJGSA-N |
| Mol Weight | 740.7 g/mol |
| Molecular Formula | C33H40O19 |
| Exact Mass | 740.216379 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H6Tnxlrf8oq |
|---|---|
| Name | Mauritianin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 740.216379049 u |
| Formula | C33H40O19 |
| InChI | InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1 |
| InChIKey | WRXVPTMENPZUIZ-QEZWUOJGSA-N |
| Instrument Name | Xevo G2-S QToF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/pca.3259 |
| Molecular Weight | 740.664 g/mol |
| Quality | 30 |
| SMILES | OC1=CC2=C(C(C(O[C@]3([C@](O[C@]4([C@@]([C@@]([C@]([C@@](O4)(C)[H])(O)[H])(O)[H])(O)[H])[H])([C@]([C@@]([C@](O3)(CO[C@@]3(O[C@]([C@@]([C@]([C@]3(O)[H])(O)[H])(O)[H])(C)[H])[H])[H])(O)[H])(O)[H])[H])[H])=C(O2)C2=CC=C(C=C2)O)=O)C(=C1)O |
| SPLASH | splash10-000m-0090250500-9da91414ffde078c6868 |
| Source of Spectrum | PA-34-SM17-Mauritianin (DOI: 10.1002/pca.3259) |
| Wiley ID | 1911781 |