Cas no 61520-47-6 ((5alpha,18R)-18-[(1R)-1-hydroxy-1-methyl-3-phenylpropyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl acetate)
![(5alpha,18R)-18-[(1R)-1-hydroxy-1-methyl-3-phenylpropyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl acetate structure](https://ossimg.kuujia.com/scimg/62000/61520-47-6x500.png)
61520-47-6 structure
Product Name:(5alpha,18R)-18-[(1R)-1-hydroxy-1-methyl-3-phenylpropyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl acetate
CAS No:61520-47-6
MF:C32H37NO5
MW:515.639889478683
CID:1627366
PubChem ID:3046084
Update Time:2024-03-02
(5alpha,18R)-18-[(1R)-1-hydroxy-1-methyl-3-phenylpropyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl acetate Chemical and Physical Properties
Names and Identifiers
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- (5alpha,18R)-18-[(1R)-1-hydroxy-1-methyl-3-phenylpropyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl acetate
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- Inchi： 1S/C32H37NO5/c1-20(34)37-23-11-10-22-18-25-30-14-15-32(36-4,28-31(30,16-17-33(25)3)26(22)27(23)38-28)24(19-30)29(2,35)13-12-21-8-6-5-7-9-21/h5-11,14-15,24-25,28,35H,12-13,16-19H2,1-4H3/t24-,25-,28-,29-,30?,31+,32+/m1/s1
- InChI Key： JJXDFLRGTAASQI-CWIBOWFUSA-N
- SMILES： O1C2=C(C=CC3C[C@@H]4C56C=C[C@]([C@@H]([C@@](C)(CCC7C=CC=CC=7)O)C5)([C@H]1[C@@]6(C=32)CCN4C)OC)OC(C)=O
Computed Properties
- Exact Mass: 515.26717328g/mol
- Monoisotopic Mass: 515.26717328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 38
- Rotatable Bond Count: 7
- Complexity: 994
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 68.2?2
(5alpha,18R)-18-[(1R)-1-hydroxy-1-methyl-3-phenylpropyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl acetate Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
61520-47-6 ((5alpha,18R)-18-[(1R)-1-hydroxy-1-methyl-3-phenylpropyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl acetate) Related Products
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