| SpectraBase Compound ID | BKF972Sh0w2 |
|---|---|
| InChI | InChI=1S/C22H25NO8/c1-22(2,27)21-17(26)10-7-9-14(20(30-6)18(10)31-21)23(3)15-13(16(9)25)11(24)8-12(28-4)19(15)29-5/h7-8,17,21,24,26-27H,1-6H3/t17-,21-/m0/s1 |
| InChIKey | JDUXUADRHUGSLD-UWJYYQICSA-N |
| Mol Weight | 431.44 g/mol |
| Molecular Formula | C22H25NO8 |
| Exact Mass | 431.158017 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HZbmL8YKUs0 |
|---|---|
| Name | Glycocitrine-V |
| Alternate Name(s) | (2S,3S)-3,6-dihydroxy-2-(2-hydroxypropan-2-yl)-8,9,11-trimethoxy-10-methyl-2,3-dihydrofuro[3,2-b]acridin-5-one (2S,3S)-3,6-dihydroxy-2-(1-hydroxy-1-methyl-ethyl)-8,9,11-trimethoxy-10-methyl-2,3-dihydrofuro[3,2-b]acridin-5-one (2S,3S)-8,9,11-trimethoxy-10-methyl-3,6-bis(oxidanyl)-2-(2-oxidanylpropan-2-yl)-2,3-dihydrofuro[3,2-b]acridin-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H25NO8 |
| InChI | InChI=1S/C22H25NO8/c1-22(2,27)21-17(26)10-7-9-14(20(30-6)18(10)31-21)23(3)15-13(16(9)25)11(24)8-12(28-4)19(15)29-5/h7-8,17,21,24,26-27H,1-6H3/t17-,21-/m0/s1 |
| InChIKey | JDUXUADRHUGSLD-UWJYYQICSA-N |
| Molecular Weight | 431.441 g/mol |
| SMILES | O[C@@]1([C@](Oc2c1cc1c(N(c3c(c(cc(c3OC)OC)O)C1=O)C)c2OC)(C(O)(C)C)[H])[H] |
| SPLASH | splash10-014i-0000900000-26b9cb3491c726f3fad9 |
| Source of Spectrum | E2-48-69-4 |
| Wiley ID | 1555072 |