| Name |
Triptofordinine A 1
[3R-[3alpha,4alpha,5alpha,5aalpha,6alpha(E),9beta,9aalpha,10R*]]-10-(Acetyloxy)-5a-[(acetyloxy)methyl]-5-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-6-[(1-oxo-3-phenyl-2-propenyl)oxy]-2H-3,9a-methano-1-benzoxepin-4-yl ester 3-pyridinecarboxylic acid |
| Formula |
C41H43NO12 |
| Mw |
741.27852585 |
| CAS RN |
112494-33-4 |
| C_ID |
C00013149
, 
|
| InChIKey |
HDEHKRKYWFVKMW-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C41H43NO12/c1-25(43)49-24-40-30(51-31(45)19-18-27-13-8-6-9-14-27)20-21-39(5,48)41(40)34(50-26(2)44)32(38(3,4)54-41)33(52-37(47)29-17-12-22-42-23-29)35(40)53-36(46)28-15-10-7-11-16-28/h6-19,22-23,30,32-35,48H,20-21,24H2,1-5H3/b19-18+/t30-,32+,33+,34-,35-,39-,40+,41-/m1/s1 |
| SMILES |
O1[C@@]23[C@]([C@@H]([C@H]([C@H](C1(C)C)[C@H]3OC(=O)C)OC(=O)c1cccnc1)OC(=O)c1ccccc1)([C@@H](CC[C@@]2(C)O)OC(=O)/C=C/c1ccccc1)COC(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Celastraceae | Tripterygium wilfordii var. regelii  | Ref. |
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