| SpectraBase Compound ID | Ec31cH4m4dp |
|---|---|
| InChI | InChI=1S/C41H51Cl3N2O16/c1-19-15-23(44)36(59-19)22(43)13-10-12-21(42)11-8-6-4-3-5-7-9-14-25(47)29-31(51)24(16-28(45)49)46(38(29)56)39-37(32(52)26(48)17-57-39)62-40-35(55)33(53)27(18-58-40)61-41-34(54)30(50)20(2)60-41/h3-14,19-20,23-24,26-27,30,32-37,39-41,47-48,50,52-55H,15-18H2,1-2H3,(H2,45,49)/b4-3+,7-5+,8-6+,12-10+,14-9+,21-11-,22-13-,29-25-/t19-,20-,23+,24+,26-,27-,30-,32+,33-,34+,35+,36-,37-,39-,40+,41+/m1/s1 |
| InChIKey | XETDUDOXAZLSEG-QGHXIWFGSA-N |
| Mol Weight | 934.2 g/mol |
| Molecular Formula | C41H51Cl3N2O16 |
| Exact Mass | 932.230417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70aPLioMUOp |
|---|---|
| Name | RUBROSIDE-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H51Cl3N2O16 |
| InChI | InChI=1S/C41H51Cl3N2O16/c1-19-15-23(44)36(59-19)22(43)13-10-12-21(42)11-8-6-4-3-5-7-9-14-25(47)29-31(51)24(16-28(45)49)46(38(29)56)39-37(32(52)26(48)17-57-39)62-40-35(55)33(53)27(18-58-40)61-41-34(54)30(50)20(2)60-41/h3-14,19-20,23-24,26-27,30,32-37,39-41,47-48,50,52-55H,15-18H2,1-2H3,(H2,45,49)/b4-3+,7-5+,8-6+,12-10+,14-9+,21-11-,22-13-,29-25-/t19-,20-,23+,24+,26-,27-,30-,32+,33-,34+,35+,36-,37-,39-,40+,41+/m1/s1 |
| InChIKey | XETDUDOXAZLSEG-QGHXIWFGSA-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 | 934.219 g/mol |
| Sample ID | 58594 |
| Solvent | C5D5N |