Name | Petasin Impurity 29 |
Synonyms | Benzeneacetic acid, α-methyl-, (1R,2R,7S,8aR)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-2-naphthalenyl ester, (αR)- |
CAS | 1437799-41-1 |
InChI | InChI=1/C24H30O3/c1-15(2)20-14-24(5)17(4)22(12-11-19(24)13-21(20)25)27-23(26)16(3)18-9-7-6-8-10-18/h6-10,13,16-17,20,22H,1,11-12,14H2,2-5H3/t16-,17+,20+,22-,24-/s2 |
InChIKey | SDOBBNIDCIOWOZ-VCBNFTGINA-N |
Canonical Smiles | C[C@@H](C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(C)=C)C1=CC=CC=C1 |
Isomers Smiles | C[C@@H](C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(C)=C)C1=CC=CC=C1 |
Molecular Formula | C24H30O3 |
Molar Mass | 366.50 |
PSA | 43.37000 |
logP | 5.22960 |