| Name |
alpha-Ergocryptine |
| Formula |
C32H41N5O5 |
| Mw |
575.31076946 |
| CAS RN |
511-09-1 |
| C_ID |
C00001721
, 
|
| InChIKey |
YDOTUXAWKBPQJW-NIPLTTASNA-N |
| InChICode |
InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1 |
| SMILES |
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps grohii | Ref. |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
|
|
zoom in
| Organism | Claviceps grohii |
|---|
| Reference | Pazoutova,J.Nat.Prod.,71,(2008),1085 |
|---|
|
