| SpectraBase Compound ID | HI1eShk2RqF |
|---|---|
| InChI | InChI=1S/C44H73NO11/c1-27-15-18-34(47)23-35-13-12-14-36(55-35)24-39(52-9)32(6)40(53-10)25-38(49)31(5)44(56-41(50)20-16-27)33(7)42(51)28(2)17-19-37(48)30(4)43(54-11)29(3)21-22-45(8)26-46/h12-13,15-16,20-22,26,28-36,38-40,42-44,47,49,51H,14,17-19,23-25H2,1-11H3/b20-16+,22-21+,27-15+/t28-,29+,30-,31-,32+,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-/m0/s1 |
| InChIKey | MVOGRRKBWLHPTF-FUNNEDHOSA-N |
| Mol Weight | 792.1 g/mol |
| Molecular Formula | C44H73NO11 |
| Exact Mass | 791.518362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66MRqIUN6AL |
|---|---|
| Name | 19-O-DEMETHYLSCYTOPHYCIN_C;MAJOR_ISOMER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H73NO11 |
| InChI | InChI=1S/C44H73NO11/c1-27-15-18-34(47)23-35-13-12-14-36(55-35)24-39(52-9)32(6)40(53-10)25-38(49)31(5)44(56-41(50)20-16-27)33(7)42(51)28(2)17-19-37(48)30(4)43(54-11)29(3)21-22-45(8)26-46/h12-13,15-16,20-22,26,28-36,38-40,42-44,47,49,51H,14,17-19,23-25H2,1-11H3/b20-16+,22-21+,27-15+/t28-,29+,30-,31-,32+,33-,34-,35-,36-,38+,39-,40-,42-,43+,44-/m0/s1 |
| InChIKey | MVOGRRKBWLHPTF-FUNNEDHOSA-N |
| Literature Reference Author | S.CARMELI,R.E.MOORE,G.M.L.PATTERSON |
| Literature Reference Citation | J.NAT.PROD.,53,1533(1990) |
| Literature Reference DOI | 10.1021/np50072a021 |
| Molecular Weight | 792.064 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ11475 |