| SpectraBase Compound ID | IEHy0HyCeR3 |
|---|---|
| InChI | InChI=1S/C20H24O4/c1-12-9-16-17-19(2,6-4-7-20(17,3)18(22)24-16)14(12)10-15(21)13-5-8-23-11-13/h5,8-9,11,14,16-17H,4,6-7,10H2,1-3H3/t14-,16+,17+,19+,20-/m0/s1 |
| InChIKey | PHCHZWZHTDPULA-UZKILMIQSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C20H24O4 |
| Exact Mass | 328.167459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ClEMJMdAQ7d |
|---|---|
| Name | Hypopurin A |
| Appearance | Colorless powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24O4 |
| InChI | InChI=1S/C20H24O4/c1-12-9-16-17-19(2,6-4-7-20(17,3)18(22)24-16)14(12)10-15(21)13-5-8-23-11-13/h5,8-9,11,14,16-17H,4,6-7,10H2,1-3H3/t14-,16+,17+,19+,20-/m0/s1 |
| InChIKey | PHCHZWZHTDPULA-UZKILMIQSA-N |
| Instrument Name | Finnigan MAT GCQ/Finnigan MAT 95S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0497402 |
| Molecular Weight | 328.408 g/mol |
| Optical Rotation | [a]25D = +43.3 (c = 0.3, CHCl3) |
| Reported Formula | C20H24O4 |
| SMILES | C1C[C@]2([C@@]3([C@](C1)(C(O[C@@]3(C=C([C@@]2(CC(c1ccoc1)=O)[H])C)[H])=O)C)[H])C |
| SPLASH | splash10-066r-0594000000-4e4d5972be5d5b7375d5 |
| Source of Spectrum | G4-67-1948-1 |
| Wiley ID | 1881579 |