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 |
C1[C@]2([C@H](C([C@H](C1)O)(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@@]1([C@H]2[C@@H](C(=O)C1)C(=C)C)C(=O)O)C)C)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Cactaceae | Stenocereus eruca | Ref. |
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