| General Compound Information |
|
| BXGC Id |
BXGC0020867 |
| Compound Name |
Sandaracopimaric Acid |
| Structure |
 |
| Formula |
C20H30O2 |
| InchiKey |
MHVJRKBZMUDEEV-KRFUXDQASA-N |
| SMILES |
C=C[C@@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O |
| Inchi |
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1 |
| IUPAC |
(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
| Molecular Weight |
302.22 |
| Pubchem Id |
221580 |
| Chembl Id |
CHEMBL513197 |