| Name |
Lupulin A |
| Formula |
C30H46O11 |
| Mw |
582.30401231 |
| CAS RN |
176739-76-7 |
| C_ID |
C00039668
, 
|
| InChIKey |
ICQWXNSVWPLGTQ-XNDBMQCZNA-N |
| InChICode |
InChI=1S/C30H46O10/c1-8-15(2)26(34)40-25-21(33)12-22-28(7,23-11-20-10-17(4)37-27(20)39-23)16(3)9-24(38-19(6)32)29(22,13-35-18(5)31)30(25)14-36-30/h15-17,20-25,27,33H,8-14H2,1-7H3/t15-,16+,17+,20+,21+,22+,23-,24-,25-,27-,28-,29-,30+/m0/s1 |
| SMILES |
CCC(C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C[C@@H](C)O[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga pseudoiva  | Ref. |
|
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