| SpectraBase Compound ID | LpGXs8TWIR0 |
|---|---|
| InChI | InChI=1S/C31H35Cl3N2O9/c1-17-14-20(34)29(45-17)19(33)12-9-11-18(32)10-7-5-3-2-4-6-8-13-22(37)25-26(40)21(15-24(35)39)36(30(25)43)31-28(42)27(41)23(38)16-44-31/h2-13,17,20-21,23,27-29,31,37-38,41-42H,14-16H2,1H3,(H2,35,39)/b3-2+,6-4+,7-5+,11-9+,13-8+,18-10-,19-12-,25-22-/t17-,20+,21+,23-,27+,28-,29-,31-/m1/s1 |
| InChIKey | BJDOLCBECYAJRD-QLSUNILOSA-N |
| Mol Weight | 686.0 g/mol |
| Molecular Formula | C31H35Cl3N2O9 |
| Exact Mass | 684.140814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EuQtmWpAxAS |
|---|---|
| Name | RUBROSIDE-H |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H35Cl3N2O9 |
| InChI | InChI=1S/C31H35Cl3N2O9/c1-17-14-20(34)29(45-17)19(33)12-9-11-18(32)10-7-5-3-2-4-6-8-13-22(37)25-26(40)21(15-24(35)39)36(30(25)43)31-28(42)27(41)23(38)16-44-31/h2-13,17,20-21,23,27-29,31,37-38,41-42H,14-16H2,1H3,(H2,35,39)/b3-2+,6-4+,7-5+,11-9+,13-8+,18-10-,19-12-,25-22-/t17-,20+,21+,23-,27+,28-,29-,31-/m1/s1 |
| InChIKey | BJDOLCBECYAJRD-QLSUNILOSA-N |
| Literature Reference Author | N.U.SATA,S.I.WADA,S.MATSUNAGA,S.WATABE,R.W.M.V.SOEST,N.FUSET ANI |
| Literature Reference Citation | J.ORG.CHEM.,64,2331(1999) |
| Literature Reference DOI | 10.1021/jo981995v |
| Molecular Weight | 685.986 g/mol |
| Sample ID | 58597 |
| Solvent | C5D5N |