| Name |
Ervahanine B |
| Formula |
C42H50N4O4 |
| Mw |
674.38320611 |
| CAS RN |
80981-94-8 |
| C_ID |
C00025864
, 
|
| InChIKey |
CGVRBBCFDQVSEW-JRXWSOMVNA-N |
| InChICode |
InChI=1S/C42H50N4O4/c1-6-24-16-23-20-42(41(48)50-5)38-28(14-15-46(21-23)39(24)42)31-17-26(12-13-34(31)44-38)30-18-29-25(7-2)22-45(3)35(36(29)40(47)49-4)19-32-27-10-8-9-11-33(27)43-37(30)32/h7-13,17,23-24,29-30,35-36,39,43-44H,6,14-16,18-22H2,1-5H3/b25-7+/t23-,24+,29-,30+,35-,36+,39+,42-/m0/s1 |
| SMILES |
[C@@H]12CN3[C@@H]([C@@](c4[nH]c5ccc([C@@H]6c7c(C[C@@H]8N(C/C(=C\C)/[C@H](C6)[C@H]8C(=O)OC)C)c6c([nH]7)cccc6)cc5c4CC3)(C1)C(=O)OC)[C@@H](C2)CC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Tabernaemontana bufalina Lour. | Ref. |
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