1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone
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![1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8319aa5b6df84ae0af5afa10275c3d2a.png "1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone")
1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone
structure -
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CAS No:
87138-72-5
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Formula:
C24H30ClFO5
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Chemical Name:
1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone
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Synonyms:
3-chlorotriamcinolone 16,17-acetonide;3-chlorotriamcinolone acetonide;3-Cl-TA;DTXSID101007363;87138-72-5;AKOS032948337;1-(2-Chloro-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-hydroxyethan-1-one
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CAS No:
1-[(1S,2S,4S,8S,9S,11S,13S)-16-chloro-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-hydroxyethanone Basic Attributes
452.9 g/mol
452.1765799 g/mol
Computed Properties
Molecular Weight:452.9
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:452.1765799
Monoisotopic Mass:452.1765799
Topological Polar Surface Area:76
Heavy Atom Count:31
Complexity:942
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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