| Name |
Bryotoxin A |
| Formula |
C32H42O12 |
| Mw |
618.26762681 |
| CAS RN |
101329-50-4 |
| C_ID |
C00003607
, 
|
| InChIKey |
KWKQJZASURFCDP-ZEZVNJQQNA-N |
| InChICode |
InChI=1S/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3/t16-,19-,20+,21+,22-,24+,25+,26-,28-,29-,30-,31-,32-/m0/s1 |
| SMILES |
CC(=O)O[C@H]1CC(C)O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4[C@H](O)C(=O)[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Crassulaceae | Bryophyllum tubiflorum | Ref. |
|
|
zoom in
|
