| Name |
Ecteinascidin 770 |
| Formula |
C40H42N4O10S |
| Mw |
770.26216432 |
| CAS RN |
114899-80-8 |
| C_ID |
C00045884
, 
|
| InChIKey |
BGFXHQYUWCGGLL-QXVCSKCQNA-N |
| InChICode |
InChI=1S/C40H42N4O10S/c1-17-9-21-10-23-24(13-41)44-25-14-51-39(48)40(22-12-27(49-5)26(46)11-20(22)7-8-42-40)15-55-38(32(44)31(43(23)4)28(21)33(47)34(17)50-6)30-29(25)37-36(52-16-53-37)18(2)35(30)54-19(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+/m0/s1 |
| SMILES |
C1[C@H]2[C@@H](N3[C@H]([C@@H](c4c(c(c(cc14)C)OC)O)N2C)[C@H]1c2c([C@@H]3COC(=O)[C@@]3(CS1)c1c(CCN3)cc(c(c1)OC)O)c1c(c(c2OC(=O)C)C)OCO1)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Ecteinascidia thurstoni | Ref. |
|
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