| Name |
Isocyasterone |
| Formula |
C29H44O8 |
| Mw |
520.30361838 |
| CAS RN |
54082-42-7 |
| C_ID |
C00031896
, 
|
| InChIKey |
NEFYSBQJYCICOG-NANFOPHXNA-N |
| InChICode |
InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14-,15-,16+,17+,19+,21-,22+,23+,24-,26-,27-,28-,29-/m1/s1 |
| SMILES |
C[C@H]1OC(=O)[C@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Amaranthaceae | Cyathula capitata | Ref. |
| Plantae | Labiatae | Ajuga taiwanensis | Ref. |
|
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