| Name |
3-(E)-Coumaroylbetulin-28-yl ethyl nonanedioate
(+)-3-(E)-Coumaroylbetulin-28-yl ethyl nonanedioate |
| Formula |
C50H74O7 |
| Mw |
786.54345472 |
| CAS RN |
302944-02-1 |
| C_ID |
C00032631
, 
|
| InChIKey |
WXJJRWAWCVLTDM-PVFGYGRXNA-N |
| InChICode |
InChI=1S/C50H74O7/c1-9-55-42(52)15-13-11-10-12-14-16-43(53)56-33-50-30-25-37(34(2)3)45(50)38-22-23-40-47(6)28-27-41(57-44(54)24-19-35-17-20-36(51)21-18-35)46(4,5)39(47)26-29-49(40,8)48(38,7)31-32-50/h17-21,24,37-41,45,51H,2,9-16,22-23,25-33H2,1,3-8H3/b24-19+/t37-,38+,39-,40+,41-,45-,47+,48+,49+,50+/m0/s1 |
| SMILES |
C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCCCCCC(=O)OCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)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 maritima  | Ref. |
|
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