| Name |
Campesteryl caffeate |
| Formula |
C37H54O4 |
| Mw |
562.40221021 |
| CAS RN |
75873-74-4 |
| C_ID |
C00053965
|
| InChIKey |
ZXDDRZYEBDQKAY-SAVIRZQKSA-N |
| InChICode |
InChI=1S/C37H54O4/c1-23(2)24(3)7-8-25(4)30-13-14-31-29-12-11-27-22-28(17-19-36(27,5)32(29)18-20-37(30,31)6)41-35(40)16-10-26-9-15-33(38)34(39)21-26/h9-11,15-16,21,23-25,28-32,38-39H,7-8,12-14,17-20,22H2,1-6H3/b16-10+/t24-,25-,28+,29+,30-,31+,32+,36+,37-/m1/s1 |
| SMILES |
CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)/C=C/c5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3CC[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Phalaris canariensis  | Ref. |
|
|
zoom in
| Organism | Phalaris canariensis |
|---|
| Reference | Aldrich Library of 13C and 1H FT NMR Spectra,1992, 3, 567B (nmr) |
|---|
|
