| Name |
Thapsitranstagin |
| Formula |
C32H46O12 |
| Mw |
622.29892693 |
| CAS RN |
81127-21-1 |
| C_ID |
C00034723
, 
|
| InChIKey |
HFOWPGYNUNTWAC-FOWTUZBSNA-N |
| InChICode |
InChI=1S/C32H46O12/c1-11-15(4)26(34)40-20-14-30(9,44-19(8)33)22-21(25-32(20,39)31(10,38)29(37)43-25)18(7)23(41-27(35)16(5)12-2)24(22)42-28(36)17(6)13-3/h12,15,17,20,22-25,38-39H,11,13-14H2,1-10H3/b16-12+/t15-,17+,20+,22-,23-,24-,25+,30-,31+,32+/m1/s1 |
| SMILES |
C12=C([C@H]([C@@H]([C@@H]2[C@](C[C@@H]([C@@]2([C@H]1OC(=O)[C@]2(C)O)O)OC(=O)[C@@H](CC)C)(C)OC(=O)C)OC(=O)[C@H](CC)C)OC(=O)/C(=C/C)/C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Thapsia transtagana | Ref. |
|
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