| SpectraBase Compound ID | 92rbE82EhAw |
|---|---|
| InChI | InChI=1S/C32H30O7/c33-25(15-14-21-8-3-1-4-9-21)30-26(34)19-27-29(31(30)36)23-18-24(12-7-13-28(35)38-27)39-32(37,20-23)17-16-22-10-5-2-6-11-22/h1-6,8-11,14-17,19,23-24,34,36-37H,7,12-13,18,20H2/b15-14+,17-16+/t23-,24-,32+/m1/s1 |
| InChIKey | GHCSEVTXYYGHAC-JLGPYDEYSA-N |
| Mol Weight | 526.6 g/mol |
| Molecular Formula | C32H30O7 |
| Exact Mass | 526.199153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 47RnPmeSIkV |
|---|---|
| Name | Kurzichalcolactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H30O7 |
| InChI | InChI=1S/C32H30O7/c33-25(15-14-21-8-3-1-4-9-21)30-26(34)19-27-29(31(30)36)23-18-24(12-7-13-28(35)38-27)39-32(37,20-23)17-16-22-10-5-2-6-11-22/h1-6,8-11,14-17,19,23-24,34,36-37H,7,12-13,18,20H2/b15-14+,17-16+/t23-,24-,32+/m1/s1 |
| InChIKey | GHCSEVTXYYGHAC-JLGPYDEYSA-N |
| Molecular Weight | 526.585 g/mol |
| SMILES | O[C@]1(O[C@@]2(CCCC(Oc3cc(c(c(c3[C@@](C1)(C2)[H])O)C(\C=C\c1ccccc1)=O)O)=O)[H])\C=C\c1ccccc1 |
| SPLASH | splash10-003r-1943130000-0d1ec613e9f8d54dfcc0 |
| Source of Spectrum | X2-56-1162-6 |
| Wiley ID | 1604996 |