| Name |
21-ketobetulinic acid |
| Formula |
C30H46O4 |
| Mw |
470.33960996 |
| CAS RN |
205439-96-9 |
| C_ID |
C00029445
, 
|
| InChIKey |
MXJMQPDZBSPQBW-PFENTKGTNA-N |
| InChICode |
InChI=1S/C30H46O4/c1-17(2)23-19(31)16-30(25(33)34)15-14-28(6)18(24(23)30)8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,28)7/h18,20-24,32H,1,8-16H2,2-7H3,(H,33,34)/t18-,20+,21-,22+,23-,24-,27+,28-,29-,30-/m1/s1 |
| SMILES |
C=C(C)[C@@H]1C(=O)C[C@]2(C(=O)O)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 | Cactaceae | Stenocereus eruca | Ref. |
|
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