| Name |
Sculponin E
(-)-Sculponin E |
| Formula |
C40H50O12 |
| Mw |
722.33022706 |
| CAS RN |
1182713-60-5 |
| C_ID |
C00048107
, 
|
| InChIKey |
FNVZLPATTUHFSQ-AZABVQHKNA-N |
| InChICode |
InChI=1S/C40H50O12/c1-34(2)22(42)11-24-38(15-47-29(43)26(34)38)21-5-4-18-13-36(21,32(45)51-24)31(44)40(18)9-6-19-17-10-20(41)25-37(12-17,28(19)52-40)33(46)50-23-7-8-35(3)14-48-30-27(35)39(23,25)16-49-30/h17-18,20-27,29-30,41-43H,4-16H2,1-3H3/t17-,18-,20-,21-,22+,23+,24+,25-,26-,27-,29-,30+,35+,36+,37+,38-,39+,40+/m1/s1 |
| SMILES |
CC1(C)[C@H]2[C@H](O)OC[C@@]23[C@H](C[C@@H]1O)OC(=O)[C@@]12C[C@@H](CC[C@H]13)[C@@]1(CCC3=C(O1)[C@]14C[C@H]3C[C@@H](O)[C@H]1[C@]13CO[C@@H]5OC[C@](C)(CC[C@@H]1OC4=O)[C@@H]53)C2=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon sculponeatus | Ref. |
|
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