| Name |
Wilfordinine I |
| Formula |
C48H51NO19 |
| Mw |
945.30552846 |
| CAS RN |
345954-05-4 |
| C_ID |
C00046510
, 
|
| InChIKey |
PVKZQXLGBGZQOB-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C48H51NO19/c1-24-31-19-20-49-21-32(31)42(56)61-22-44(6)33-34(62-26(3)51)38(63-27(4)52)47(23-60-25(2)50)39(64-28(5)53)35(65-40(54)29-15-11-9-12-16-29)37(67-43(57)45(24,7)58)46(8,59)48(47,68-44)36(33)66-41(55)30-17-13-10-14-18-30/h9-21,24,33-39,58-59H,22-23H2,1-8H3/t24-,33+,34-,35-,36-,37-,38+,39-,44-,45+,46+,47+,48-/m1/s1 |
| SMILES |
[C@H]1([C@@H]2[C@@]([C@@]34[C@]([C@@H]1OC(=O)C)([C@H]([C@@H]([C@@H]([C@H]3OC(=O)c1ccccc1)[C@@](O4)(C)COC(=O)c1c([C@H]([C@](C(=O)O2)(C)O)C)ccnc1)OC(=O)C)OC(=O)C)COC(=O)C)(O)C)OC(=O)c1ccccc1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Tripterygium wilfordii  | Ref. |
|
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