| Name |
(-)-Tirotundifolin B
Tirotundifolin B
(3aR,4R,5aR,6R,9bS)-[partial]-2,3,3a,4,5,5a,6,7,8,9b-Decahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid |
| Formula |
C20H26O6 |
| Mw |
362.17293856 |
| CAS RN |
92356-88-2 |
| C_ID |
C00013234
, 
|
| InChIKey |
USMGBEDASIFJNA-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C20H26O6/c1-9-6-7-14(22)20(5)8-13(25-18(23)10(2)12(4)21)15-11(3)19(24)26-17(15)16(9)20/h12-15,17,21-22H,2-3,6-8H2,1,4-5H3/t12-,13+,14-,15-,17-,20+/m0/s1 |
| SMILES |
[C@@]12(C[C@H]([C@H]3[C@@H](C1=C(CC[C@@H]2O)C)OC(=O)C3=C)OC(=O)C(=C)[C@@H](O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tithonia rotundifolia | Ref. |
|
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