| SpectraBase Compound ID | JcRo06jub3z |
|---|---|
| InChI | InChI=1S/C45H70O15.Na/c1-13-31(48)42(8)20-24(4)35(58-42)30-17-23(3)37(55-30)44(10)33(54-12)19-32(57-44)41(7)14-15-45(60-41)21-29(47)25(5)36(59-45)26(6)38(43(9,52)40(50)51)56-39(49)34-22(2)16-27(53-11)18-28(34)46;/h16,18,23-26,29-33,35-38,46-48,52H,13-15,17,19-21H2,1-12H3,(H,50,51);/q;+1/p-1/t23-,24+,25+,26+,29-,30+,31+,32-,33+,35+,36-,37+,38+,41+,42+,43?,44+,45?;/m0./s1 |
| InChIKey | XDTOILVCRDVQBW-OJWILOOYSA-M |
| Mol Weight | 873.0 g/mol |
| Molecular Formula | C45H69NaO15 |
| Exact Mass | 872.453416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HLj22h4Oi0 |
|---|---|
| Name | CATIONOMYCIN-SODIUM-SALT |
| Compound Number | 1B |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C45H70O15.Na/c1-13-31(48)42(8)20-24(4)35(58-42)30-17-23(3)37(55-30)44(10)33(54-12)19-32(57-44)41(7)14-15-45(60-41)21-29(47)25(5)36(59-45)26(6)38(43(9,52)40(50)51)56-39(49)34-22(2)16-27(53-11)18-28(34)46;/h16,18,23-26,29-33,35-38,46-48,52H,13-15,17,19-21H2,1-12H3,(H,50,51);/q;+1/p-1/t23-,24+,25+,26+,29-,30+,31+,32-,33+,35+,36-,37+,38+,41+,42+,43?,44+,45?;/m0./s1 |
| InChIKey | XDTOILVCRDVQBW-OJWILOOYSA-M |
| Literature Reference | J.CHEM.SOC.PERKIN-2,399(1993) G.DAUPHIN,G.JEMINET,F.VAUFREY |
| Solvent | Chloroform-d |
| Technique | SELECTIVE DECOUPLING; C/H SHIFT CORRELATION |