| Name |
Isothankunic acid |
| Formula |
C30H48O6 |
| Mw |
504.34508927 |
| CAS RN |
22882-19-5 |
| C_ID |
C00051005
|
| InChIKey |
OZMSOBFVFCVRMM-VJQZPTHUNA-N |
| InChICode |
InChI=1S/C30H48O6/c1-17-9-12-29(24(34)35)14-13-25(3)19(23(29)18(17)2)7-8-20-26(4)11-10-21(32)28(6,16-31)30(26,36)22(33)15-27(20,25)5/h7,17-18,20-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,25-,26-,27-,28+,29+,30+/m1/s1 |
| SMILES |
C[C@H]1[C@H](C)CC[C@]2(OC=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@]5(O)[C@H](O)C[C@]43C)[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Araliaceae | Centella asiatica  | Ref. |
|
|
zoom in
|
