| Name |
Ajugamacrin B |
| Formula |
C31H44O11 |
| Mw |
592.28836225 |
| CAS RN |
123313-59-7 |
| C_ID |
C00031586
, 
|
| InChIKey |
JPFTWOXTEMZXOG-LATSHTEONA-N |
| InChICode |
InChI=1S/C31H44O11/c1-8-17(2)28(36)42-24(22-12-26(35)37-14-22)13-29(7)18(3)11-25(41-21(6)34)31(16-38-19(4)32)27(29)23(40-20(5)33)9-10-30(31)15-39-30/h12,17-18,23-25,27H,8-11,13-16H2,1-7H3/t17-,18+,23+,24-,25-,27+,29-,30-,31+/m0/s1 |
| SMILES |
[C@H]1(C[C@@H]([C@@]2([C@@H]([C@]1(C[C@@H](C1=CC(=O)OC1)OC(=O)[C@H](CC)C)C)[C@@H](CC[C@]12OC1)OC(=O)C)COC(=O)C)OC(=O)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Ajuga taiwanensis | Ref. |
|
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