| Name |
Betulinic acid methyl ester
Lup-20(29)-en-28-oic acid |
| Formula |
C31H50O3 |
| Mw |
470.37599546 |
| CAS RN |
2259-06-5 |
| C_ID |
C00029824
, 
|
| InChIKey |
XNZIMRUZBOZIBC-XZFLEMQUNA-N |
| InChICode |
InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25-,28-,29+,30+,31-/m0/s1 |
| SMILES |
C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)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 discolor  | Ref. |
|
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