Carnosic Acid
Representations & DB's id
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| ChEBI: | CHEBI:65585 | |
|---|---|---|
| ChEMBL: | CHEMBL484853 | |
| PubChem: | 65126 | |
| IUPAC: | (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid | |
| Standard InChI: | InChI=1S/C20H28O4/c1-11(2)13-10-12-6-7-14-19(3,4)8-5-9-20(14,18(23)24)15(12)17(22)16(13)21/h10-11,14,21-22H,5-9H2,1-4H3,(H,23,24)/t14-,20+/m0/s1 | |
| Standard InChI Key: | QRYRORQUOLYVBU-VBKZILBWSA-N | |
| SMILES: | OC(=O)[C@@]12CCCC([C@@H]2CCc2c1c(O)c(c(c2)C(C)C)O)(C)C | |
Molecular propeties
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| AlogP: | 4.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 332.2 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.65 | |
| Number of carbons: | 20 | |