| Name |
(Z)-Betulin-3-p-coumarate
3-(Z)-p-Coumaroylbetulin
3-O-(Z)-p-Coumaroylbetulin |
| Formula |
C39H56O4 |
| Mw |
588.41786028 |
| CAS RN |
144424-81-7 |
| C_ID |
C00019798
, 
|
| InChIKey |
FKTQBZHKUPHHSC-REUMHNQTNA-N |
| InChICode |
InChI=1S/C39H56O4/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/h8-12,15,28-32,34,40-41H,1,13-14,16-24H2,2-7H3/b15-10-/t28-,29+,30-,31-,32-,34+,36-,37+,38+,39+/m0/s1 |
| SMILES |
C1[C@@H](C([C@H]2[C@](C1)([C@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@@](CC2)(CC[C@H]1C(=C)C)CO)C)C)C)(C)C)OC(=O)/C=C\c1ccc(cc1)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rosaceae | Chaenomeles sinensis KOEHNE  | Ref. |
| Plantae | Rutaceae | Phebalium tuberculosum ssp. megaphyllum | Ref. |
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