| Name |
Scupontin E
(-)-Scupontin E |
| Formula |
C34H50O12 |
| Mw |
650.33022706 |
| CAS RN |
188846-88-0 |
| C_ID |
C00050227
, 
|
| InChIKey |
NWCVZAWEGAITNN-RSPLCYPJNA-N |
| InChICode |
InChI=1S/C34H50O12/c1-19-12-27(45-23(5)36)34(18-41-28(37)14-21(3)44-30(39)15-22(4)43-29(38)13-20(2)35)25(8-7-10-33(34)17-42-33)32(19,6)26-16-24-9-11-40-31(24)46-26/h9,11,19-22,24-27,31,35H,7-8,10,12-18H2,1-6H3/t19-,20+,21+,22+,24-,25-,26+,27+,31-,32+,33+,34+/m1/s1 |
| SMILES |
[C@H]1(C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]1C[C@@H]3[C@@H](O1)OC=C3)CCC[C@]12OC1)COC(=O)C[C@H](C)OC(=O)C[C@H](C)OC(=O)C[C@H](C)O)OC(=O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Scutellaria pontica | Ref. |
|
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