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Isothebaine
[CAS# 568-21-8]

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Identification
Classification Natural product >> Alkaloid
Name Isothebaine
Synonyms 2,11-Dimethoxy-1-Hydroxyaporphine; 4H-Dibenzo(De,G)Quinolin-1-Ol, 5,6,6A,7-Tetrahydro-2,11-Dimethoxy-6-Methyl-, (S)-; 4H-Dibenzo(De,G)Quinolin-1-Ol, 5,6,6A,7-Tetrahydro-2,11-Dimethoxy-6-Methyl-, (S)- (9Ci)
Molecular Structure CAS#: 568-21-8, Isothebaine
Molecular Formula C19H21NO3
Molecular Weight 311.38
CAS Registry Number 568-21-8
SMILES [C@@H]34C1=C(C=C(C(=C1C2=C(C=CC=C2OC)C3)O)OC)CCN4C
InChI 1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1
InChIKey RQCOQZNIQLKGTN-ZDUSSCGKSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 489.2±45.0°C at 760 mmHg (Cal.)
Flash point 249.6±28.7°C (Cal.)
Market Analysis Reports
List of Reports Available for Isothebaine
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