| Name |
Ecteinascidin 743
(-)-Ecteinascidin 743 |
| Formula |
C39H43N3O11S |
| Mw |
761.26182997 |
| CAS RN |
114899-77-3 |
| C_ID |
C00044733
, 
|
| InChIKey |
PKVRCIRHQMSYJX-YIQHZWAANA-N |
| InChICode |
InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1 |
| SMILES |
COc1cc2c(cc1O)CCN[C@]21CS[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]1O)N2C)OCO4 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Ecteinascidia turbinata | Ref. |
|
|
zoom in
| Organism | Ecteinascidia turbinata |
|---|
| Reference | Newman,J.Nat.Prod.,67,(2004),1216 |
|---|
|
