CAS | 94529-97-2 |
Synonyms | (4aR,9S,10aS)-1,3,4,9,10,10a-Hexahydro-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthrene-5,6-diol |
IUPAC Name | 11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4-diol |
Molecular Weight | 316.43 |
Molecular Formula | C20H28O3 |
Canonical SMILES | CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)CO3)O)O |
InChI | InChI=1S/C20H28O3/c1-11(2)12-8-13-14-9-15-19(3,4)6-5-7-20(15,10-23-14)16(13)18(22)17(12)21/h8,11,14-15,21-22H,5-7,9-10H2,1-4H3 |
InChI Key | XCVWKCGUFCXDHN-UHFFFAOYSA-N |
Boiling Point | 463.1±45.0 °C |
Melting Point | 180-183 °C |
Purity | 98% |
Density | 1.19±0.1 g/ml |
pKa | 9.60±0.40 |
Appearance | Solid |
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