| SpectraBase Compound ID | 3n17hJZLcTt |
|---|---|
| InChI | InChI=1S/C38H66N2O19S3.3Na/c1-28(2)22-36(42)55-30-23-34-32-17-11-4-3-5-13-19-35(41)39-25-37(43)56-31(16-10-6-8-14-20-38(24-30,57-32)58-34)33(59-62(50,51)52)18-12-7-9-15-21-53-26-29(40-60(44,45)46)27-54-61(47,48)49;;;/h13,19,28-34,40H,3-12,14-18,20-27H2,1-2H3,(H,39,41)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b19-13+;;;/t29?,30-,31?,32+,33?,34+,38-;;;/m1.../s1 |
| InChIKey | BCOLCBARUQCBAB-JQBZEYBASA-K |
| Mol Weight | 1017.06630785 g/mol |
| Molecular Formula | C38H63N2Na3O19S3 |
| Exact Mass | 1016.288024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CcFiyGXJ4ur |
|---|---|
| Name | CYCLODIDEMNISERINOL-TRISULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H63N2Na3O19S3 |
| InChI | InChI=1S/C38H66N2O19S3.3Na/c1-28(2)22-36(42)55-30-23-34-32-17-11-4-3-5-13-19-35(41)39-25-37(43)56-31(16-10-6-8-14-20-38(24-30,57-32)58-34)33(59-62(50,51)52)18-12-7-9-15-21-53-26-29(40-60(44,45)46)27-54-61(47,48)49;;;/h13,19,28-34,40H,3-12,14-18,20-27H2,1-2H3,(H,39,41)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3/b19-13+;;;/t29?,30-,31?,32+,33?,34+,38-;;;/m1.../s1 |
| InChIKey | BCOLCBARUQCBAB-JQBZEYBASA-K |
| Literature Reference Author | S.S.MITCHELL,D.RHODES,F.D.BUSHMAN,D.J.FAULKNER |
| Literature Reference Citation | ORG.LETTERS,2,1605(2000) |
| Literature Reference DOI | 10.1021/ol005866o |
| Molecular Weight | 1017.070 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI25856 |