| SpectraBase Compound ID | 5dGCxCsS4Vm |
|---|---|
| InChI | InChI=1S/C42H54Cl2N2O16/c1-21-17-24(44)28(59-21)16-12-11-14-23(43)13-9-7-5-4-6-8-10-15-26(47)31-33(51)25(18-30(45)49)46(39(31)55)40-37(34(52)27(48)19-57-40)62-41-36(54)35(53)29(20-58-41)61-42-38(56-3)32(50)22(2)60-42/h4-16,21-22,24-25,27-29,32,34-38,40-42,47-48,50,52-54H,17-20H2,1-3H3,(H2,45,49)/b5-4+,8-6+,9-7+,14-11+,15-10+,16-12+,23-13-,31-26-/t21-,22-,24+,25+,27+,28-,29+,32-,34-,35+,36-,37+,38+,40+,41-,42+/m1/s1 |
| InChIKey | ZKJYYAOTFJQDHK-IDVAFBDASA-N |
| Mol Weight | 913.8 g/mol |
| Molecular Formula | C42H54Cl2N2O16 |
| Exact Mass | 912.285039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfMPkiPsJ7Z |
|---|---|
| Name | RUBROSIDE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54Cl2N2O16 |
| InChI | InChI=1S/C42H54Cl2N2O16/c1-21-17-24(44)28(59-21)16-12-11-14-23(43)13-9-7-5-4-6-8-10-15-26(47)31-33(51)25(18-30(45)49)46(39(31)55)40-37(34(52)27(48)19-57-40)62-41-36(54)35(53)29(20-58-41)61-42-38(56-3)32(50)22(2)60-42/h4-16,21-22,24-25,27-29,32,34-38,40-42,47-48,50,52-54H,17-20H2,1-3H3,(H2,45,49)/b5-4+,8-6+,9-7+,14-11+,15-10+,16-12+,23-13-,31-26-/t21-,22-,24+,25+,27+,28-,29+,32-,34-,35+,36-,37+,38+,40+,41-,42+/m1/s1 |
| InChIKey | ZKJYYAOTFJQDHK-IDVAFBDASA-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 | 913.801 g/mol |
| Sample ID | 58593 |
| Solvent | CD3OD |