| Name |
Conodutarine A
(-)-Conodutarine A |
| Formula |
C42H52N4O5 |
| Mw |
692.3937708 |
| CAS RN |
486444-27-3 |
| C_ID |
C00044635
, 
|
| InChIKey |
PUWGYOKTBPQPGM-BLYIGKERNA-N |
| InChICode |
InChI=1S/C42H52N4O5/c1-6-24-20-45(3)35-18-29-25-9-7-8-10-33(25)43-38(29)30(17-32(24)42(35,21-47)41(49)51-5)36-34(50-4)12-11-26-27-13-14-46-19-23-15-28(22(2)48)40(46)31(16-23)37(27)44-39(26)36/h6-12,22-23,28,30-32,35,40,43-44,47-48H,13-21H2,1-5H3/b24-6-/t22-,23+,28+,30+,31-,32-,35-,40-,42-/m0/s1 |
| SMILES |
c1c(c(c2c(c1)c1c([nH]2)[C@H]2[C@H]3N(CC1)C[C@@H](C2)C[C@@H]3[C@H](C)O)[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2N(C/C(=C/C)/[C@H](C1)[C@@]2(C(=O)OC)CO)C)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Tabernamontana corymbosa | Ref. |
|
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