| Name |
Ecteinascidin 786
(-)-Ecteinascidin 786 |
| Formula |
C40H42N4O11S |
| Mw |
786.25707894 |
| CAS RN |
442851-31-2 |
| C_ID |
C00045885
, 
|
| InChIKey |
RRCYSJADSSZEAZ-YBEXWVIKNA-N |
| InChICode |
InChI=1S/C40H42N4O11S/c1-17-9-21-10-23-24(13-41)44-25-14-52-39(48)40(22-12-27(50-5)26(46)11-20(22)7-8-42-40)15-56(49)38(32(44)31(43(23)4)28(21)33(47)34(17)51-6)30-29(25)37-36(53-16-54-37)18(2)35(30)55-19(3)45/h9,11-12,23-25,31-32,38,42,46-47H,7-8,10,14-16H2,1-6H3/t23-,24-,25-,31+,32+,38+,40+,56+/m0/s1 |
| SMILES |
COc1cc2c(cc1O)CCN[C@]21CS(=O)[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1C#N)N2C)OCO4 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Ecteinascidia thurstoni | Ref. |
|
|
zoom in
| Organism | Ecteinascidia thurstoni |
|---|
| Reference | Suwanborirux,J.Nat.Prod.,65,(2002),935 |
|---|
|
