Hardwickic acid
(4aS,5R,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Also Known As: Hardwickic acid|Hardwickiic acid|(+)-Hardwickiic Acid|KST-1A3450|KST-1A3451|SOLSTITIALIN A 13-ACETATE(SH)|(4as,5r,6s,8as)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid|(4aS,5R,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid|(4aalpha)-3,4,4a,5,6,7,8,8a-Octahydro-5alpha-[2-(3-furanyl)ethyl]-5,6beta,8abeta-trimethylnaphthalene-1-carboxylic acid|(4aS)-5alpha-[2-(3-Furyl)ethyl]-3,4,4aalpha,5,6,7,8,8a-octahydro-5,6beta,8abeta-trimethyl-1-naphthalenecarboxylic acid|1-Naphthalenecarboxylic acid, 5-(2-(3-furanyl)ethyl)-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, (4aS-(4aalpha,5alpha,6beta,8abeta))-|1-Naphthalenecarboxylic acid,5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-,(4aS,5R,6S,8aS)-|1-Naphthalenecarboxylicacid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-,(4aS,5R,6S,8aS)-
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20386 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.20386 |
| Monoisotopic Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 2836-44-4 |
|---|---|
| SMILES | C[C@H]1CC[C@]2([C@H]([C@]1(C)CCC3=COC=C3)CCC=C2C(=O)O)C |
| InChIKey | HHWOKJDCJVESIF-GIPAHHNCSA-N |
Product Overview
Hardwickic acid (CAS 2836-44-4), with molecular formula C20H28O3 and molecular weight 316.20386 g/mol. IUPAC: (4aS,5R,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid.
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