Catalog |
BBC61597839 |
CAS |
61597-83-9 |
Structure |  |
Synonyms |
(1S,4aS)-7-Hydroxy-1,4a-diMethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid |
IUPAC Name |
(1S,4aS)-7-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
Molecular Weight |
274.35 |
Molecular Formula |
C17H22O3 |
Canonical SMILES |
C[C@]12CCC[C@](C1CCC3=C2C=CC(=C3)O)(C)C(=O)O |
InChI |
InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-4-11-10-12(18)5-6-13(11)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3,(H,19,20)/t14?,16-,17+/m1/s1 |
InChI Key |
DWHTYLMRWXUGJL-XMKPYSNPSA-N |
Boiling Point |
449.6±45.0 °C |
Purity |
98% |
Density |
1.182±0.06 g/ml |
Appearance |
Solid |
pKa |
4.66±0.40 |
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