| Name |
Thapsigargin |
| Formula |
C34H50O12 |
| Mw |
650.33022706 |
| CAS RN |
67526-95-8 |
| C_ID |
C00003375
, 
|
| InChIKey |
IXFPJGBNCFXKPI-XOOWKGIRNA-N |
| InChICode |
InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1 |
| SMILES |
[C@H]12C(=C([C@@H]([C@H]2OC(=O)CCCCCCC)OC(=O)/C(=C\C)/C)C)[C@H]2[C@]([C@H](C[C@@]1(OC(=O)C)C)OC(=O)CCC)([C@@](C(=O)O2)(O)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Thapsia garganica | Ref. |
|
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