| Name |
Allocholic acid |
| Formula |
C24H40O5 |
| Mw |
408.28757439 |
| CAS RN |
2464-18-8 |
| C_ID |
C00054052
|
| InChIKey |
BHQCQFFYRZLCQQ-PGHAKIONSA-N |
| InChICode |
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| SMILES |
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Acipenser sturio | Ref. |
|
|
zoom in
| Organism | Acipenser sturio |
|---|
| Reference | Aldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 1057C (ir) |
|---|
|
