Cas no 561-25-1 ((5alpha)-6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan)
561-25-1 structure
Product Name:(5alpha)-6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
CAS No:561-25-1
MF:C19H23NO3
MW:313.390825510025
CID:1596813
Update Time:2024-03-01
(5alpha)-6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan Chemical and Physical Properties
Names and Identifiers
-
- Dihydrothebaine
- (5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen
- (5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen [IUPAC]
- 4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6-morphinen
- 8,14-Dihydrothebaine
- delta(sup 6)-Dihydrothebaine
- (5alpha)-6,7-Didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
- Morphinan, 6,7-didehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl- (8CI)
- Morphinan, 6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methyl- (5-alpha,14-xi)- (9CI)
- Thebaine, dihydro-
- (5alpha)-3,6-dimethoxy-17-methyl-6,7-didehydro-4,5-epoxymorphinan
- (4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
- Morphinan, 6,7-didehydro-4,5-epoxy-3,6-dimethox
- (5alpha)-6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
-
- Inchi： 1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6-7,12-13,18H,5,8-10H2,1-3H3/t12-,13+,18-,19-/m0/s1
- InChI Key： XJZOLKDBHJPTAT-ATNYCFDYSA-N
- SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5CC=C([C@H]1[C@@]5(C=32)CCN4C)OC)OC
Computed Properties
- Exact Mass: 313.167794
- Monoisotopic Mass: 313.167794
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 535
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30.9
Experimental Properties
- Density: 1.26
- Melting Point: 162-163°
- Boiling Point: 454.4°C at 760 mmHg
- Flash Point: 135.4°C
- Refractive Index: 1.627
- Specific Rotation: D20 -267° (c = 1.02 in benzene)
(5alpha)-6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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