![#5;PHOTOHEDAMYCIN-B;8-[4-(DIMETHYLAMINO)-3-HYDROXY-2-METHYL-3,4-DIHYDRO-2H-PYRAN-6-YL]-11-HYDROXY-2-[2-HYDROXY-1-METHYL-2-(3-METHYLOXIRAN-2-YL)-ETHYL]-5-METHY](/api/spectrum/50RGCfs45U9/structure.png?h=300&w=458 "#5;PHOTOHEDAMYCIN-B;8-[4-(DIMETHYLAMINO)-3-HYDROXY-2-METHYL-3,4-DIHYDRO-2H-PYRAN-6-YL]-11-HYDROXY-2-[2-HYDROXY-1-METHYL-2-(3-METHYLOXIRAN-2-YL)-ETHYL]-5-METHY")
| SpectraBase Compound ID | CIvryNEsu7O |
|---|---|
| InChI | InChI=1S/C41H50N2O11/c1-16-11-23-31(39-29(16)25(44)14-26(54-39)17(2)33(45)38-19(4)53-38)37(49)32-30(36(23)48)21(27-13-24(42(7)8)34(46)18(3)51-27)12-22(35(32)47)28-15-41(6,43(9)10)40(50)20(5)52-28/h11-14,17-20,24,28,33-34,38,40,45-47,50H,15H2,1-10H3/t17?,18-,19+,20+,24-,28-,33?,34-,38+,40-,41+/m0/s1 |
| InChIKey | MQJADPYARCVLEV-RWJSZYCNSA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C41H50N2O11 |
| Exact Mass | 746.34146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50RGCfs45U9 |
|---|---|
| Name | #6;PHOTOHEDAMYCIN-C;8-[4-(DIMETHYLAMINO)-3-HYDROXY-2-METHYL-3,4-DIHYDRO-2H-PYRAN-6-YL]-11-HYDROXY-2-[2-HYDROXY-1-METHYL-2-(3-METHYLOXIRAN-2-YL)-ETHYL]-5-METHYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H50N2O11 |
| InChI | InChI=1S/C41H50N2O11/c1-16-11-23-31(39-29(16)25(44)14-26(54-39)17(2)33(45)38-19(4)53-38)37(49)32-30(36(23)48)21(27-13-24(42(7)8)34(46)18(3)51-27)12-22(35(32)47)28-15-41(6,43(9)10)40(50)20(5)52-28/h11-14,17-20,24,28,33-34,38,40,45-47,50H,15H2,1-10H3/t17?,18-,19+,20+,24-,28-,33?,34-,38+,40-,41+/m0/s1 |
| InChIKey | MQJADPYARCVLEV-RWJSZYCNSA-N |
| Literature Reference Author | A.FREDENHAGEN,U.SEQUIN |
| Literature Reference Citation | HELV.CHIM.ACTA,68,391(1985) |
| Literature Reference DOI | 10.1002/hlca.19850680213 |
| Molecular Weight | 746.855 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3948 |