Name |
Boerhavilanostenyl benzoate |
Formula |
C43H64O8 |
Mw |
708.46011902 |
CAS RN |
219686-54-1 |
C_ID |
C00019362
,
|
InChIKey |
YSZPGWVKMANYKI-ZKNCTORLNA-N |
InChICode |
InChI=1S/C43H64O8/c1-26(25-49-39-36(47)35(46)37(32(24-44)50-39)51-38(48)28-14-9-8-10-15-28)12-11-13-27(2)29-18-22-43(7)31-16-17-33-40(3,4)34(45)20-21-41(33,5)30(31)19-23-42(29,43)6/h8-10,14-15,17,26-27,29-32,35-37,39,44,46-47H,11-13,16,18-25H2,1-7H3/t26-,27+,29+,30-,31-,32+,35-,36+,37?,39+,41+,42+,43-/m0/s1 |
SMILES |
C1C(=O)C(C2=CC[C@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@]3(CC[C@@H]1[C@H](C)CCC[C@@H](CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)OC(=O)c1ccccc1)O)O)C)C)C)(C)C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Nyctaginaceae | Boerhavia diffusa | Ref. |
|
|
zoom in
|