| Name |
Calyculin J |
| Formula |
C50H80BrN4O15P |
| Mw |
1086.45411731 |
| CAS RN |
187991-79-3 |
| C_ID |
C00027996
, 
|
| InChIKey |
MBIIYZBJZIEDNW-MPXPMMMRNA-N |
| InChICode |
InChI=1S/C50H80BrN4O15P/c1-28(20-22-52)16-14-17-30(3)49(9)44(51)33(6)42(68-49)32(5)36(56)24-39(65-13)43-45(70-71(61,62)63)48(7,8)50(69-43)25-37(57)31(4)38(67-50)19-15-18-34-26-66-47(54-34)29(2)21-23-53-46(60)41(59)40(58)35(27-64-12)55(10)11/h14-18,20,26,29,31-33,35-45,56-59H,19,21,23-25,27H2,1-13H3,(H,53,60)(H2,61,62,63)/b16-14+,18-15+,28-20-,30-17+/t29-,31-,32-,33-,35-,36-,37+,38-,39-,40-,41-,42-,43+,44+,45-,49-,50+/m0/s1 |
| SMILES |
COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@@H]2O[C@@](C)(/C(C)=C/C=C/C(C)=CC#N)[C@H](Br)[C@H]2C)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Discodermia calyx | Ref. |
|
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