| Name |
Monardin B |
| Formula |
C28H38O17 |
| Mw |
646.21089979 |
| CAS RN |
1262796-92-8 |
| C_ID |
C00056997
|
| InChIKey |
IKYFJEUICLQXDZ-VXKCKFGNSA-N |
| InChICode |
InChI=1S/C28H38O17/c1-11(2)13-5-4-12(3)14(6-13)42-28-26(24(38)22(36)16(44-28)10-41-20(34)8-18(31)32)45-27-25(39)23(37)21(35)15(43-27)9-40-19(33)7-17(29)30/h4-6,11,15-16,21-28,35-39H,7-10H2,1-3H3,(H,29,30)(H,31,32)/t15-,16-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1 |
| SMILES |
Cc1ccc(C(C)C)cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Monarda punctata  | Ref. |
|
|
zoom in
| Organism | Monarda punctata |
|---|
| Reference | Aldrich Library of 13C and 1H FT NMR Spectra,1992, 2, 266C (nmr) |
|---|
|
