Cas no 63783-54-0 (Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a,6b)- (9CI))
63783-54-0 structure
Product Name:Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a,6b)- (9CI)
CAS No:63783-54-0
MF:C20H23NO4
MW:341.40092587471
CID:518394
PubChem ID:5745725
Update Time:2025-04-19
Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a,6b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a,6b)- (9CI)
- [(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate
- 7,8-Didehydro-4,5α-epoxy-3-methoxy-17-methylmorphinan-6β-ol acetate
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- Inchi: 1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16+,19-,20-/m0/s1
- InChI Key: MFXFQKMUCYHPFQ-ZLOUOWRTSA-N
- SMILES: O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@H]([C@H]1[C@@]5(C=32)CCN4C)OC(C)=O)OC
Computed Properties
- Exact Mass: 341.16279
- Monoisotopic Mass: 341.16270821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 607
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 48?2
Experimental Properties
- PSA: 48
Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a,6b)- (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
63783-54-0 (Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5a,6b)- (9CI)) Related Products
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