| SpectraBase Compound ID | LBtSHZi0lLr |
|---|---|
| InChI | InChI=1S/C45H80N6O7.ClH/c1-3-38-22-16-17-26-43(58-38)33-36-24-28-45(55)40(44(27-19-21-35(2)57-44)49-42(48-43)51(36)45)41(54)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-39(53)50(31-20-29-46)34-37(52)25-30-47;/h16,22,35-38,40,52,55H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49);1H/t35-,36+,37?,38-,40-,43+,44-,45+;/m0./s1 |
| InChIKey | IXFOLILSFFXGKW-PSWPBFTLSA-N |
| Mol Weight | 853.6 g/mol |
| Molecular Formula | C45H81ClN6O7 |
| Exact Mass | 852.585527 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 | EjbGwraKQhi |
|---|---|
| Name | CRAMBESCIDIN-816 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H81ClN6O7 |
| InChI | InChI=1S/C45H80N6O7.ClH/c1-3-38-22-16-17-26-43(58-38)33-36-24-28-45(55)40(44(27-19-21-35(2)57-44)49-42(48-43)51(36)45)41(54)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-39(53)50(31-20-29-46)34-37(52)25-30-47;/h16,22,35-38,40,52,55H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49);1H/t35-,36+,37?,38-,40-,43+,44-,45+;/m0./s1 |
| InChIKey | IXFOLILSFFXGKW-PSWPBFTLSA-N |
| Literature Reference Author | R.G.S.BERLINCK,J.C.BRAEKMAN,D.DALOZE,I.BRUNO,R.RICCIO,S.FERR I,S.SPAMPINATO,E.SP |
| Literature Reference Citation | J.NAT.PROD.,56,1007(1993) |
| Literature Reference DOI | 10.1021/np50097a004 |
| Molecular Weight | 853.627 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS176 |