| Name |
Macrocalyxin B |
| Formula |
C21H28O6 |
| Mw |
376.18858863 |
| CAS RN |
158734-28-2 |
| C_ID |
C00051398
|
| InChIKey |
WGCKEVDKYAWWFQ-VDSARYSENA-N |
| InChICode |
InChI=1S/C21H28O6/c1-11-12-8-20(26-3)17-19(10-27-20)6-4-5-18(2,9-22)13(19)7-14(23)21(17,15(11)24)16(12)25/h9,12-14,16-17,23,25H,1,4-8,10H2,2-3H3/t12-,13+,14+,16+,17+,18+,19-,20+,21+/m0/s1 |
| SMILES |
C=C1C(=O)[C@@]23C(O)[C@H]1C[C@@]1(OC)OC[C@]4(CCC[C@](C)(C=O)[C@H]4C[C@H]2O)[C@H]13 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Isodon macrocalyx | Ref. |
|
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