| Name |
Bruceantinol |
| Formula |
C30H38O13 |
| Mw |
606.2312413 |
| CAS RN |
53729-52-5 |
| C_ID |
C00003700
, 
|
| InChIKey |
SREUSBYRKOPNJK-PGVDHPJCNA-N |
| InChICode |
InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1 |
| SMILES |
COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C(C)C(C)(C)OC(C)=O)[C@@H]24 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Simaroubaceae | Brucea antidysenterica  | Ref. |
|
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