| Name |
3-(E)-Coumaroylbetulinaldehyde
(+)-3-(E)-Coumaroylbetulinaldehyde |
| Formula |
C39H54O4 |
| Mw |
586.40221021 |
| CAS RN |
221110-12-9 |
| C_ID |
C00049349
, 
|
| InChIKey |
VKDMMNZFFPVATI-ADSKBTHMNA-N |
| InChICode |
InChI=1S/C39H54O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,24,28-32,34,41H,1,13-14,16-23H2,2-7H3/b15-10+/t28-,29+,30-,31+,32-,34-,36+,37+,38+,39+/m0/s1 |
| SMILES |
C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ebenaceae | Diospyros maritima  | Ref. |
|
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