![#7;PHOTOHEDAMYCIN-D;8-[(E)-4,5-DIHYDROXY-1-OXO-2-HEXENYL]-11-HYDROXY-2-[2-HYDROXY-1-METHYL-2-(3-METHYLOXIRAN-2-YL)-ETHYL]-5-METHYL-10-[2,3,6-TRIDEOXY-3-DIMETH](/api/spectrum/BXnByvOxBb1/structure.png?h=300&w=458 "#7;PHOTOHEDAMYCIN-D;8-[(E)-4,5-DIHYDROXY-1-OXO-2-HEXENYL]-11-HYDROXY-2-[2-HYDROXY-1-METHYL-2-(3-METHYLOXIRAN-2-YL)-ETHYL]-5-METHYL-10-[2,3,6-TRIDEOXY-3-DIMETH")
| SpectraBase Compound ID | 4z09l0J6nEJ |
|---|---|
| InChI | InChI=1S/C39H45NO12/c1-15-11-22-30(37-28(15)25(44)13-26(52-37)16(2)32(45)36-18(4)51-36)35(48)31-29(34(22)47)20(24(43)10-9-23(42)17(3)41)12-21(33(31)46)27-14-39(6,40(7)8)38(49)19(5)50-27/h9-13,16-19,23,27,32,36,38,41-42,45-46,49H,14H2,1-8H3/b10-9+/t16?,17-,18+,19+,23+,27-,32?,36+,38-,39+/m0/s1 |
| InChIKey | MFNTWALWUQKPOU-QAIZMWJSSA-N |
| Mol Weight | 719.8 g/mol |
| Molecular Formula | C39H45NO12 |
| Exact Mass | 719.294176 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 | BXnByvOxBb1 |
|---|---|
| Name | #7;PHOTOHEDAMYCIN-D;8-[(E)-4,5-DIHYDROXY-1-OXO-2-HEXENYL]-11-HYDROXY-2-[2-HYDROXY-1-METHYL-2-(3-METHYLOXIRAN-2-YL)-ETHYL]-5-METHYL-10-[2,3,6-TRIDEOXY-3-DIMETH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H45NO12 |
| InChI | InChI=1S/C39H45NO12/c1-15-11-22-30(37-28(15)25(44)13-26(52-37)16(2)32(45)36-18(4)51-36)35(48)31-29(34(22)47)20(24(43)10-9-23(42)17(3)41)12-21(33(31)46)27-14-39(6,40(7)8)38(49)19(5)50-27/h9-13,16-19,23,27,32,36,38,41-42,45-46,49H,14H2,1-8H3/b10-9+/t16?,17-,18+,19+,23+,27-,32?,36+,38-,39+/m0/s1 |
| InChIKey | MFNTWALWUQKPOU-QAIZMWJSSA-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 | 719.786 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3949 |