| SpectraBase Compound ID | GxdUAuRN5I4 |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-18-6-3-7-20-14(18)4-8-19(2,25-17(20)24-16(18)22)15(20)10-13(21)12-5-9-23-11-12/h4-5,8-9,11,14-15,17H,3,6-7,10H2,1-2H3/t14-,15-,17-,18-,19-,20+/m0/s1 |
| InChIKey | RRIAXHHOQKFFCN-ULFLFZEMSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | YdAwvT0rgG |
|---|---|
| Name | Hypopurin C |
| Appearance | Colorless powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-18-6-3-7-20-14(18)4-8-19(2,25-17(20)24-16(18)22)15(20)10-13(21)12-5-9-23-11-12/h4-5,8-9,11,14-15,17H,3,6-7,10H2,1-2H3/t14-,15-,17-,18-,19-,20+/m0/s1 |
| InChIKey | RRIAXHHOQKFFCN-ULFLFZEMSA-N |
| Instrument Name | Finnigan MAT GCQ/Finnigan MAT 95S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0497402 |
| Molecular Weight | 342.391 g/mol |
| Optical Rotation | [a]25D = +13.3 (c = 0.3, CHCl3) |
| Reported Formula | C20H22O5 |
| SMILES | C1C[C@@]23[C@@]4([C@](C1)(C(O[C@]3(O[C@@](C=C4)([C@@]2(CC(c1ccoc1)=O)[H])C)[H])=O)C)[H] |
| SPLASH | splash10-0api-0592000000-d335386209a93afa9f5e |
| Source of Spectrum | G4-67-1949-3 |
| Wiley ID | 1881581 |