3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate
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3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate
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CAS No:
115375-60-5
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Formula:
C22H29F3O5S
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Chemical Name:
3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate
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Synonyms:
Androsta-5,16-diene-3,17-diol,3-acetate 17-(trifluoromethanesulfonate),(3β)-;3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate
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CAS No:
3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate Basic Attributes
462.5228696
462.52
806-821-8
DTXSID00747029
Characteristics
78.05000
6.90
1.32±0.1 g/cm3(Predicted)
491.9±45.0 °C(Predicted)
251.3±28.7 °C
1.532
Safety Information
P201, P202, P260, P263, P264, P270, P273, P281, P308+P313, P314, P391, P405, P501
H360
|Danger|H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]|P201, P202, P260, P263, P264, P270, P273, P281, P308+P313, P314, P391, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate Use and Manufacturing
Intermediate in the production of Abiraterone Acetate
Computed Properties
Molecular Weight:462.5
XLogP3:5.4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:462.16877968
Monoisotopic Mass:462.16877968
Topological Polar Surface Area:78
Heavy Atom Count:31
Complexity:932
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate
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