| Name |
BMY 42448
Pyrrolosporin A |
| Formula |
C44H54Cl2N2O10 |
| Mw |
840.31555138 |
| CAS RN |
140395-71-7 |
| C_ID |
C00016259
, 
|
| InChIKey |
VJLGDMURVJFPJD-ZKOCTCPQNA-N |
| InChICode |
InChI=1S/C44H54Cl2N2O10/c1-6-24-20-44-38(51)33(41(55)58-44)37(50)43(7-2)25(12-10-8-9-11-17-42(44,5)21-27(24)40(53)54)14-15-26-28(43)16-13-22(3)36(26)57-32-19-30(49)34(23(4)56-32)48-39(52)35-29(45)18-31(46)47-35/h8,10-11,14-15,17-18,21-26,28,30,32,34,36,47,49,51H,6-7,9,12-13,16,19-20H2,1-5H3,(H,48,52)(H,53,54)/b10-8+,17-11+/t22-,23-,24+,25-,26+,28-,30+,32+,34-,36-,42+,43-,44-/m1/s1 |
| SMILES |
[C@H]1(C(=C[C@]2([C@]3(C1)OC(=O)C(=C3O)C(=O)[C@@]1([C@H](C/C=C/C/C=C/2)C=C[C@H]2[C@H]1CC[C@H]([C@H]2O[C@H]1C[C@@H]([C@H](NC(=O)c2c(cc([nH]2)Cl)Cl)[C@H](O1)C)O)C)CC)C)C(=O)O)CC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Micromonosporaceae | Micromonospora sp. C39217-R109-7 | Ref. |
|
|
zoom in
| Organism | Micromonospora sp. C39217-R109-7 |
|---|
| Reference | Lam,J.Antibiotics 49,(1996),860 |
|---|
|
