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 |
[C@H]1([C@@H](O[C@@]2(C[C@H]1O)C([C@H]([C@H](O2)[C@H](C[C@@H]([C@@H]([C@@H]1O[C@]([C@@H]([C@H]1C)Br)(/C(=C/C=C/C(=C\C |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
- | - | Discodermia calyx | Ref. |
|
|
zoom in
Organism | Discodermia calyx | Reference | Matsunaga,J.Org.Chem.,62,(1997),2640 |
---|
|