| SpectraBase Spectrum ID |
25wpUI1525U |
| Name |
5-O-acetylhydroquinone renieramycin M |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H37N3O9 |
| InChI |
InChI=1S/C33H37N3O9/c1-9-14(2)33(41)44-13-23-24-19(30(45-17(5)37)16(4)32(43-8)28(24)39)11-21-26-25-18(27(38)15(3)31(42-7)29(25)40)10-20(35(26)6)22(12-34)36(21)23/h9,20-23,26,39H,10-11,13H2,1-8H3/b14-9-/t20-,21+,22+,23+,26-/m1/s1 |
| InChIKey |
PGAZIESKLVICSW-KFYZXUROSA-N |
| Instrument Name |
JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np400277m |
| Molecular Weight |
619.671 g/mol |
| Optical Rotation |
[a]D20 = +35 (c = 0.001, MeOH) |
| Reported Formula |
C33H37N3O9 |
| SMILES |
Oc1c(c(c(c2C[C@]3([C@@]4(C5=C(C[C@]([C@@](N3[C@](c12)(COC(\C(=C/C)C)=O)[H])(C#N)[H])(N4C)[H])C(C(=C(C5=O)OC)C)=O)[H])[H])OC(C)=O)C)OC |
| SPLASH |
splash10-00di-0090110000-f8d92713a9909ab8769a |
| Source of Spectrum |
G4-76-SM8-2 |
| Wiley ID |
1865682 |
