![#3;PHOTOHEDAMYCIN-A;8-[4-(DIMETHYLAMINO)-3-HYDROXY-2-METHYL-3,4-DIHYDRO-2H-PYRAN-6-YL]-2-(3,3'-DIMETHYL-[2,2'-BIOXIRAN]-3-YL)-11-HYDROXY-5-METHYL-8-[2,3,6-TRID](/api/spectrum/LEPGJuCg9jJ/structure.png?h=300&w=458 "#3;PHOTOHEDAMYCIN-A;8-[4-(DIMETHYLAMINO)-3-HYDROXY-2-METHYL-3,4-DIHYDRO-2H-PYRAN-6-YL]-2-(3,3'-DIMETHYL-[2,2'-BIOXIRAN]-3-YL)-11-HYDROXY-5-METHYL-8-[2,3,6-TRID")
| SpectraBase Compound ID | 8ihUyfCzd0m |
|---|---|
| InChI | InChI=1S/C41H48N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-14,17-19,23,26,32,36,38-39,45-46,49H,15H2,1-10H3/t17-,18+,19+,23-,26-,32-,36+,38-,39+,40+,41+/m0/s1 |
| InChIKey | CQHNKVRDIHQKKF-DELUBARHSA-N |
| Mol Weight | 744.8 g/mol |
| Molecular Formula | C41H48N2O11 |
| Exact Mass | 744.32581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEPGJuCg9jJ |
|---|---|
| Name | #3;PHOTOHEDAMYCIN-A;8-[4-(DIMETHYLAMINO)-3-HYDROXY-2-METHYL-3,4-DIHYDRO-2H-PYRAN-6-YL]-2-(3,3'-DIMETHYL-[2,2'-BIOXIRAN]-3-YL)-11-HYDROXY-5-METHYL-8-[2,3,6-TRID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H48N2O11 |
| InChI | InChI=1S/C41H48N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-14,17-19,23,26,32,36,38-39,45-46,49H,15H2,1-10H3/t17-,18+,19+,23-,26-,32-,36+,38-,39+,40+,41+/m0/s1 |
| InChIKey | CQHNKVRDIHQKKF-DELUBARHSA-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 | 744.839 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3946 |