| Name |
Thapsigargicin |
| Formula |
C32H46O12 |
| Mw |
622.29892693 |
| CAS RN |
67526-94-7 |
| C_ID |
C00020715
, 
|
| InChIKey |
LXWLOFYIORKNSA-IVRDBKRWNA-N |
| InChICode |
InChI=1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3/b17-11-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1 |
| SMILES |
[C@@H]1(C(=C2[C@H]([C@@H]1OC(=O)CCCCC)[C@@](C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC)(C)OC(=O)C)C)OC(=O)/C(=C\C)/C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Thapsia garganica | Ref. |
|
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