| Name |
Daturolactone 5
(-)-Daturolactone 5 |
| Formula |
C28H40O7 |
| Mw |
488.27740363 |
| CAS RN |
239440-63-2 |
| C_ID |
C00049629
, 
|
| InChIKey |
FRAXEPBUEMOLJG-RLNVUBRJNA-N |
| InChICode |
InChI=1S/C28H40O7/c1-13-11-19(35-25(33)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,34)24(32)23(22)31/h6-7,15-19,21-24,30-32,34H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,21-,22-,23+,24-,26+,27-,28-/m0/s1 |
| SMILES |
CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)[C@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Solanaceae | Datura ferox  | Ref. |
|
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