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 |
C1[C@H]2[C@H]([C@H]3[C@]([C@H]1O)([C@H](CC3)[C@@H]([C@H]1CC(=C(C(=O)O1)C)C)C)C)[C@H]([C@@H]([C@@]1([C@@]2(C(=O)C=CC1)C)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Solanaceae | Datura ferox | Ref. |
|
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