| SpectraBase Compound ID | 2dreJurrOQX |
|---|---|
| InChI | InChI=1S/C44H56Cl2N2O16/c1-23-19-26(46)30(61-23)18-14-10-9-12-16-25(45)15-11-7-5-4-6-8-13-17-28(49)33-35(53)27(20-32(47)51)48(41(33)57)42-39(36(54)29(50)21-59-42)64-43-38(56)37(55)31(22-60-43)63-44-40(58-3)34(52)24(2)62-44/h4-18,23-24,26-27,29-31,34,36-40,42-44,49-50,52,54-56H,19-22H2,1-3H3,(H2,47,51)/b5-4+,8-6+,10-9-,11-7+,16-12+,17-13+,18-14+,25-15-,33-28-/t23-,24-,26+,27+,29+,30+,31+,34-,36-,37+,38-,39+,40+,42+,43-,44+/m1/s1 |
| InChIKey | HSOZLYVGPBGNQK-OHNPQMMXSA-N |
| Mol Weight | 939.8 g/mol |
| Molecular Formula | C44H56Cl2N2O16 |
| Exact Mass | 938.300689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4SWUc1vbKg9 |
|---|---|
| Name | RUBROSIDE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H56Cl2N2O16 |
| InChI | InChI=1S/C44H56Cl2N2O16/c1-23-19-26(46)30(61-23)18-14-10-9-12-16-25(45)15-11-7-5-4-6-8-13-17-28(49)33-35(53)27(20-32(47)51)48(41(33)57)42-39(36(54)29(50)21-59-42)64-43-38(56)37(55)31(22-60-43)63-44-40(58-3)34(52)24(2)62-44/h4-18,23-24,26-27,29-31,34,36-40,42-44,49-50,52,54-56H,19-22H2,1-3H3,(H2,47,51)/b5-4+,8-6+,10-9-,11-7+,16-12+,17-13+,18-14+,25-15-,33-28-/t23-,24-,26+,27+,29+,30+,31+,34-,36-,37+,38-,39+,40+,42+,43-,44+/m1/s1 |
| InChIKey | HSOZLYVGPBGNQK-OHNPQMMXSA-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 | 939.838 g/mol |
| Sample ID | 58589 |
| Solvent | CD3OD |