| Name |
Caffeoylcycloartenol |
| Formula |
C39H56O4 |
| Mw |
588.41786028 |
| CAS RN |
75884-34-3 |
| C_ID |
C00054285
|
| InChIKey |
QKNCKSQAXGWPIK-YFRHIOQFSA-N |
| InChICode |
InChI=1S/C39H56O4/c1-25(2)9-8-10-26(3)28-17-19-37(7)32-15-14-31-35(4,5)33(18-20-38(31)24-39(32,38)22-21-36(28,37)6)43-34(42)16-12-27-11-13-29(40)30(41)23-27/h9,11-13,16,23,26,28,31-33,40-41H,8,10,14-15,17-22,24H2,1-7H3/b16-12+/t26-,28-,31+,32+,33+,36-,37+,38-,39+/m1/s1 |
| SMILES |
OC1=C(O)C=CC(/C=C/C(O[C@@H]2C(C)(C)[C@@](CC[C@]3([H])[C@@]45CC[C@@]6(C)[C@@]3(C)CC[C@]6([H])[C@H](C)CC/C=C(C)/C)([H])[C@]4(C5)CC2)=O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Phalaris canariensis  | Ref. |
|
|
zoom in
| Organism | Phalaris canariensis |
|---|
| Reference | Chapon, S. et al., Bull. Soc. Chim. Fr., 1952, 456-457 (isol) |
|---|
|
