| Name |
Bruceoside A |
| Formula |
C32H42O16 |
| Mw |
682.2472853 |
| CAS RN |
63306-30-9 |
| C_ID |
C00003703
, 
|
| InChIKey |
AKSGLPBROCFVSE-NADCMQDXNA-N |
| InChICode |
InChI=1S/C32H42O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,12-13,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1 |
| SMILES |
C1(=C[C@]2([C@H]([C@@H](C1=O)C)C[C@@H]1[C@]34[C@@H]2[C@H]([C@@H]([C@]([C@@H]3[C@H](C(=O)O1)OC(=O)C=C(C)C)(OC4)C(=O)OC)O)O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Simaroubaceae | Brucea javanica  | Ref. |
|
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