Name |
beta-Sitosterol behenate |
Formula |
C51H92O2 |
Mw |
736.70973218 |
CAS RN |
22554-56-9 |
C_ID |
C00058026
|
InChIKey |
KESLVCKDQOQELG-OBZANURPSA-N |
InChICode |
InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3/t41-,42-,44+,45+,46-,47+,48+,50+,51-/m1/s1 |
SMILES |
CCCCCCCCCCCCCCCCCCCCCC(O[C@@H]1CC2=CC[C@]([C@@](CC[C@]3([H])[C@H](C)CC[C@@H](CC)C(C)C)([H])[C@]3(C)CC4)([H])[C@@]4([H])[C@@]2(C)CC1)=O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Rosaceae | Prunus cerasoides | Ref. |
|
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