| Name |
Isobrucein A
isobruceine A |
| Formula |
C26H34O11 |
| Mw |
522.21011193 |
| CAS RN |
57629-50-2 |
| C_ID |
C00003717
, 
|
| InChIKey |
NTBOLWMPXFGUHO-KSZSXRCSNA-N |
| InChICode |
InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1 |
| SMILES |
C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@@]([C@H]([C@@H]1O)O)(OC4)C(=O)OC)OC(=O)CC(C)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Simaroubaceae | Soulamea tomentosa | Ref. |
|
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