CAS | 88664-08-8 |
Synonyms | Demethylcryptojaponol |
IUPAC Name | (4aS,10aS)-5,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
Molecular Weight | 316.43 |
Molecular Formula | C20H28O3 |
Canonical SMILES | CC(C)C1=C(C(=C2C(=C1)C(=O)C[C@@H]3[C@@]2(CCCC3(C)C)C)O)O |
InChI | InChI=1S/C20H28O3/c1-11(2)12-9-13-14(21)10-15-19(3,4)7-6-8-20(15,5)16(13)18(23)17(12)22/h9,11,15,22-23H,6-8,10H2,1-5H3/t15-,20-/m0/s1 |
InChI Key | GDLRDIDXYBIPFY-YWZLYKJASA-N |
Boiling Point | 482.2±45.0 °C |
Melting Point | 192-194 °C |
Purity | 98% |
Density | 1.11±0.06 g/ml |
pKa | 8.55±0.60 |
Appearance | Powder |
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