(1S,2R,13R,14S,17S,18S)-17-(2-chloroethynyl)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
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![(1S,2R,13R,14S,17S,18S)-17-(2-chloroethynyl)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f941eba9b85044a8bba53fbcb7e7394a.png "(1S,2R,13R,14S,17S,18S)-17-(2-chloroethynyl)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol")
(1S,2R,13R,14S,17S,18S)-17-(2-chloroethynyl)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
structure -
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CAS No:
121565-23-9
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Formula:
C22H26ClNO2
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Chemical Name:
(1S,2R,13R,14S,17S,18S)-17-(2-chloroethynyl)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
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Synonyms:
21-chlorodanazol;121565-23-9;21-Chlorodanazol;DTXSID80923864;1-(Chloroethynyl)-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d][1,2]oxazol-1-ol
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CAS No:
(1S,2R,13R,14S,17S,18S)-17-(2-chloroethynyl)-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol Basic Attributes
371.9 g/mol
371.1652068 g/mol
Computed Properties
Molecular Weight:371.9
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:371.1652068
Monoisotopic Mass:371.1652068
Topological Polar Surface Area:46.3
Heavy Atom Count:26
Complexity:722
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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