| SpectraBase Compound ID | 7DOJGzW7YKs |
|---|---|
| InChI | InChI=1S/C32H40O14/c1-17-10-9-13-23(37)12-8-6-7-11-22-14-24(15-25(38)27(22)31(39)41-17)45-32-30(44-21(5)36)29(43-20(4)35)28(42-19(3)34)26(46-32)16-40-18(2)33/h7,11,14-15,17,26,28-30,32,38H,6,8-10,12-13,16H2,1-5H3/b11-7+/t17-,26+,28+,29-,30+,32+/m0/s1 |
| InChIKey | CLDCZLWAYPHCKI-CLFIGGSHSA-N |
| Mol Weight | 648.7 g/mol |
| Molecular Formula | C32H40O14 |
| Exact Mass | 648.241806 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GmabBfrk10E |
|---|---|
| Name | (S)-Zearalenone 4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H40O14 |
| InChI | InChI=1S/C32H40O14/c1-17-10-9-13-23(37)12-8-6-7-11-22-14-24(15-25(38)27(22)31(39)41-17)45-32-30(44-21(5)36)29(43-20(4)35)28(42-19(3)34)26(46-32)16-40-18(2)33/h7,11,14-15,17,26,28-30,32,38H,6,8-10,12-13,16H2,1-5H3/b11-7+/t17-,26+,28+,29-,30+,32+/m0/s1 |
| InChIKey | CLDCZLWAYPHCKI-CLFIGGSHSA-N |
| Molecular Weight | 648.658 g/mol |
| SMILES | Oc1cc(O[C@]2([C@@]([C@]([C@](OC(=O)C)([C@](O2)(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])cc2c1C(O[C@](CCCC(=O)CCC\C=C\2)(C)[H])=O |
| SPLASH | splash10-0a59-0957000000-e328a90842f07b2e77b0 |
| Source of Spectrum | SO-0-1079-3 |
| Wiley ID | 1543736 |