| SpectraBase Compound ID | DVWpeWEfOO0 |
|---|---|
| InChI | InChI=1S/C42H53Cl3N2O16/c1-20-16-24(45)36(60-20)23(44)14-11-13-22(43)12-9-7-5-4-6-8-10-15-26(48)30-32(52)25(17-29(46)50)47(39(30)56)40-37(33(53)27(49)18-58-40)63-41-35(55)34(54)28(19-59-41)62-42-38(57-3)31(51)21(2)61-42/h4-15,20-21,24-25,27-28,31,33-38,40-42,48-49,51,53-55H,16-19H2,1-3H3,(H2,46,50)/b5-4+,8-6+,9-7+,13-11+,15-10+,22-12-,23-14-,30-26-/t20-,21-,24+,25+,27-,28-,31-,33+,34-,35+,36-,37-,38+,40-,41+,42+/m1/s1 |
| InChIKey | PNDCCASNKRUOMF-DRDIMVMCSA-N |
| Mol Weight | 948.2 g/mol |
| Molecular Formula | C42H53Cl3N2O16 |
| Exact Mass | 946.246067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6kEPwTUAaK |
|---|---|
| Name | RUBROSIDE-F |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H53Cl3N2O16 |
| InChI | InChI=1S/C42H53Cl3N2O16/c1-20-16-24(45)36(60-20)23(44)14-11-13-22(43)12-9-7-5-4-6-8-10-15-26(48)30-32(52)25(17-29(46)50)47(39(30)56)40-37(33(53)27(49)18-58-40)63-41-35(55)34(54)28(19-59-41)62-42-38(57-3)31(51)21(2)61-42/h4-15,20-21,24-25,27-28,31,33-38,40-42,48-49,51,53-55H,16-19H2,1-3H3,(H2,46,50)/b5-4+,8-6+,9-7+,13-11+,15-10+,22-12-,23-14-,30-26-/t20-,21-,24+,25+,27-,28-,31-,33+,34-,35+,36-,37-,38+,40-,41+,42+/m1/s1 |
| InChIKey | PNDCCASNKRUOMF-DRDIMVMCSA-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 | 948.246 g/mol |
| Sample ID | 58595 |
| Solvent | CD3OD |