| Name |
Gabunine |
| Formula |
C42H50N4O5 |
| Mw |
690.37812074 |
| CAS RN |
1357-30-8 |
| C_ID |
C00001730
, 
|
| InChIKey |
RGNYMFZZBBTLNA-SMUBDCOHNA-N |
| InChICode |
InChI=1S/C42H50N4O5/c1-6-23-16-22-19-42(41(48)51-5)38-27(14-15-46(21-22)39(23)42)26-12-13-33(49-3)35(37(26)45-38)30-17-28-24(7-2)20-43-32(34(28)40(47)50-4)18-29-25-10-8-9-11-31(25)44-36(29)30/h7-13,22-23,28,30,32,34,39,43-45H,6,14-21H2,1-5H3/b24-7-/t22-,23+,28-,30-,32-,34+,39+,42-/m1/s1 |
| SMILES |
[nH]1c2c(c3c1cccc3)C[C@@H]1[C@H]([C@H](C[C@@H]2c2c3c(ccc2OC)c2c([nH]3)[C@]3([C@H]4N(CC2)C[C@@H](C3)C[C@@H]4CC)C(=O)OC)/C(=C\C)/CN1)C(=O)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Tabernaemontana holstii | Ref. |
| Plantae | Apocynaceae | Tabernaemontana johnstonii | Ref. |
| Plantae | Apocynaceae | Tabernaemontana odoratissima | Ref. |
| - | - | Gabunia odoratissima | Ref. |
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