CAS | 5508-58-7 |
Structure | |
Synonyms | 2(3H)-Furanone,3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-met |
IUPAC Name | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one |
Molecular Weight | 350.45 |
Molecular Formula | C20H30O5 |
Canonical SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O |
InChI | InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 |
InChI Key | BOJKULTULYSRAS-OTESTREVSA-N |
Boiling Point | 557.3±50.0 °C |
Melting Point | 229-232 °C (lit.) |
Purity | 98% |
Density | 1.23 g/ml |
pKa | 12.36±0.20 |
Appearance | White powder |
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