| 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 |
OC1=C(O)C=CC(/C=C/C(O[C@@H]2CC3=CC[C@]([C@@](CC[C@]4([H])[C@H](C)CC[C@@H](C)C(C)C)([H])[C@]4(C)CC5)([H])[C@@]5([H])[C@@]3(C)CC2)=O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Phalaris canariensis  | Ref. |
|
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