| Name |
(+)-Alstomacroline |
| Formula |
C42H50N4O5 |
| Mw |
690.37812074 |
| CAS RN |
199800-14-1 |
| C_ID |
C00024343
, 
|
| InChIKey |
KWWPTZADUTXZJC-RRHZLXJONA-N |
| InChICode |
InChI=1S/C42H50N4O5/c1-6-22-19-45-34-17-28(22)42(39(48)50-5)35(45)18-41(38(42)47)27-12-8-10-14-31(27)46(37(34)41)20-29-24-15-33-36-25(23-11-7-9-13-30(23)44(36)4)16-32(43(33)3)26(24)21-51-40(29,2)49/h6-14,24,26,28-29,32-35,37-38,47,49H,15-21H2,1-5H3/b22-6-/t24-,26-,28+,29+,32-,33-,34+,35+,37+,38+,40-,41-,42-/m1/s1 |
| SMILES |
c1ccc2c(c1)[C@@]13[C@@H](N2C[C@@H]2[C@](OC[C@@H]4[C@H]2C[C@H]2N([C@@H]4Cc4c2n(c2c4cccc2)C)C)(C)O)[C@H]2N4[C@@H](C1)[C@]([C@@H](C2)/C(=C\C)/C4)([C@H]3O)C(=O)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Alstonia macrophylla  | Ref. |
|
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