| SpectraBase Compound ID | 7Ww0cQki1BE |
|---|---|
| InChI | InChI=1S/C33H38Cl2N2O9/c1-20-17-22(35)26(46-20)16-12-8-7-10-14-21(34)13-9-5-3-2-4-6-11-15-24(38)28-29(41)23(18-27(36)40)37(32(28)44)33-31(43)30(42)25(39)19-45-33/h2-16,20,22-23,25-26,30-31,33,38-39,42-43H,17-19H2,1H3,(H2,36,40)/b3-2+,6-4+,8-7-,9-5+,14-10+,15-11+,16-12+,21-13-,28-24-/t20-,22+,23+,25+,26+,30-,31+,33+/m1/s1 |
| InChIKey | HQSONZSAXNUXGI-CKVPCTRTSA-N |
| Mol Weight | 677.6 g/mol |
| Molecular Formula | C33H38Cl2N2O9 |
| Exact Mass | 676.195436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Hp766o0yJk |
|---|---|
| Name | RUBROSIDE-G |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38Cl2N2O9 |
| InChI | InChI=1S/C33H38Cl2N2O9/c1-20-17-22(35)26(46-20)16-12-8-7-10-14-21(34)13-9-5-3-2-4-6-11-15-24(38)28-29(41)23(18-27(36)40)37(32(28)44)33-31(43)30(42)25(39)19-45-33/h2-16,20,22-23,25-26,30-31,33,38-39,42-43H,17-19H2,1H3,(H2,36,40)/b3-2+,6-4+,8-7-,9-5+,14-10+,15-11+,16-12+,21-13-,28-24-/t20-,22+,23+,25+,26+,30-,31+,33+/m1/s1 |
| InChIKey | HQSONZSAXNUXGI-CKVPCTRTSA-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 | 677.579 g/mol |
| Sample ID | 58596 |
| Solvent | C5D5N |