Hecolic acid
2-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid
Also Known As: HECOLIC ACID|2-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid|[6-Hydroxy-8a-methyl-2-(3,4,5'-trimethyl-3,3a,6,6a-tetrahydrospiro[cyclopenta[b]furan-2,2'-oxan]-5-yl)decahydronaphthalen-1-yl]acetic acid
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30322 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.30322 |
| Monoisotopic Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 6875-62-3 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC(=C3C)C4CCC5CC(CCC5(C4CC(=O)O)C)O)C)OC1 |
| InChIKey | NZWMGLZRGPLUOW-UHFFFAOYSA-N |
Product Overview
Hecolic acid (CAS 6875-62-3), with molecular formula C27H42O5 and molecular weight 446.30322 g/mol. IUPAC: 2-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid.