| Name |
Tirotundifolin D
[3aR-[3aalpha,4beta(Z),5abeta,6beta,9aalpha,9bbeta]]-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2-(hydroxymethyl)-2-butenoic acid |
| Formula |
C20H26O6 |
| Mw |
362.17293856 |
| CAS RN |
92356-86-0 |
| C_ID |
C00012977
, 
|
| InChIKey |
BMZQSJPEGUQSCC-RVEBMNTLNA-N |
| InChICode |
InChI=1S/C20H26O6/c1-5-12(9-21)19(24)25-13-8-20(4)14(22)7-6-10(2)16(20)17-15(13)11(3)18(23)26-17/h5-6,13-17,21-22H,3,7-9H2,1-2,4H3/b12-5-/t13-,14-,15-,16-,17+,20+/m1/s1 |
| SMILES |
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=CC)CO)C[C@@]1(C)[C@H](O)CC=C(C)[C@H]21 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Tithonia rotundifolia | Ref. |
|
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