Anodyne| Doisynolic acid | |
|---|---|
 | |
| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C18H24O3[1] |
| Molecular mass | 288.4 g/mol[1] |
| Predicted LogP | 4.4[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| IUPAC name | (1S,2S,4aS,10aR)-1-ethyl-7-hydroxy-2-methyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylic acid[1] |
| SMILES | CC[C@H]1[C@@H]2CCC3=C([C@H]2CC[C@]1(C)C(=O)O)C=CC(=C3)O[1] |
| InChI | InChI=1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h5,7,10,14-16,19H,3-4,6,8-9H2,1-2H3,(H,20,21)/t14-,15-,16+,18+/m1/s1[1] |
| InChIKey | GEGYYIFBFKSCPK-CBZIJGRNSA-N[1] |
| Dosing |
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Doisynolic acid
Doisynolic acid (also known as trans-Doisynolic acid, Acido doisynolico, Doisynolic acid, trans-, 3-Hydroxy-16,17-secoestra-1,3,5(10)-trien-17-oic acid, 16,17-Secoestra-1,3,5(10)-trien-17-oic acid, 3-hydroxy-, 2-Phenanthrenecarboxylic acid, 1-ethyl-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, (1s,2s,4as,10ar)-, 1-Ethyl-7-hydroxy-2-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylic acid or 1-Ethyl-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-2-phenanthrenecarboxylic acid)
Chemistry
Stereochemistry
Doisynolic acid is a absolute mixture