| SpectraBase Compound ID | I7ddzKn2P6D |
|---|---|
| InChI | InChI=1S/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16-,20+,21-,23+/m0/s1 |
| InChIKey | VRZYXKVDNUBKHN-KVJRYPDASA-N |
| Mol Weight | 494.93 g/mol |
| Molecular Formula | C23H27ClN2O8 |
| Exact Mass | 494.145594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3xj4L5SkU1 |
|---|---|
| Name | AURANTOSIDE-J |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H27ClN2O8 |
| InChI | InChI=1S/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16-,20+,21-,23+/m0/s1 |
| InChIKey | VRZYXKVDNUBKHN-KVJRYPDASA-N |
| Literature Reference Author | R.F.ANGAWI,G.BAVESTRELLO,B.CALCINAI,H.A.DIEN,G.DONNARUMMA,M. A.TUFANO,I.PAOLETTI |
| Literature Reference Citation | MAR.DRUGS,9,2809(2011) |
| Literature Reference DOI | 10.3390/md9122809 |
| Molecular Weight | 494.929 g/mol |
| Source File Reference | UWBT7082 |