| SpectraBase Compound ID | HZhhn4KQqA0 |
|---|---|
| InChI | InChI=1S/C20H16O5/c21-13-3-1-2-10-18(13)16(24)8-12-9-4-6-14(22)19-15(23)7-5-11(17(9)19)20(10,12)25/h1-3,5,7,9,12,21,23,25H,4,6,8H2/t9-,12+,20+/m1/s1 |
| InChIKey | OYRYUFABCKQXTO-HGCCHXFOSA-N |
| Mol Weight | 336.34 g/mol |
| Molecular Formula | C20H16O5 |
| Exact Mass | 336.099774 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G1L9UZfUVST |
|---|---|
| Name | Daldinone A |
| Appearance | oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H16O5 |
| InChI | InChI=1S/C20H16O5/c21-13-3-1-2-10-18(13)16(24)8-12-9-4-6-14(22)19-15(23)7-5-11(17(9)19)20(10,12)25/h1-3,5,7,9,12,21,23,25H,4,6,8H2/t9-,12+,20+/m1/s1 |
| InChIKey | OYRYUFABCKQXTO-HGCCHXFOSA-N |
| Instrument Name | JEOL JMS AX-500 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020301h |
| Molecular Weight | 336.343 g/mol |
| Optical Rotation | [a]D20 = -290.1 (c = 0.77, MeOH) |
| Reported Formula | C20H16O5 |
| SMILES | Oc1ccc2c3[C@@]([C@]4([C@@]2(c2c(c(ccc2)O)C(C4)=O)O)[H])(CCC(c13)=O)[H] |
| SPLASH | splash10-00kr-0039000000-5d9afa308dfbadbe1098 |
| Source of Spectrum | G4-65-1873-1 |
| Wiley ID | 1883565 |