4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol
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![4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7850e659cc914e6aad24e4bdd3fef047.png "4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol")
4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol
structure -
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CAS No:
75352-27-1
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Formula:
C39H44N2O8
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Chemical Name:
4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol
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Synonyms:
Thalmirabine;75352-27-1;4H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-15,18-etheno-9,13-metheno-19H-pyrido(2,3,4-tu)-1,14,6-benzodioxaazacyclodocosin-23-ol,5,6,7,8,19a,20,21,22-octahydro-12,24,25,31,32-pentamethoxy-6,20-dimethyl-, (7S,19aS)-
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CAS No:
4,16,17,21,22-pentamethoxy-10,27-dimethyl-2,19-dioxa-10,27-diazaheptacyclo[28.2.2.13,7.120,24.09,14.013,18.028,35]hexatriaconta-1(32),3,5,7(36),13(18),14,16,20,22,24(35),30,33-dodecaen-23-ol Basic Attributes
668.8 g/mol
668.30976637 g/mol
Computed Properties
Molecular Weight:668.8
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:668.30976637
Monoisotopic Mass:668.30976637
Topological Polar Surface Area:91.3
Heavy Atom Count:49
Complexity:1060
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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