2-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxymethyl]-1,1-dioxo-1,2-benzothiazol-3-one

Names

[ CAS No. ]:
157231-19-1

[ Name ]:
2-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxymethyl]-1,1-dioxo-1,2-benzothiazol-3-one

[Synonym ]:
2-(((17beta-Hydroxyestra-1,3,5(10)-trien-3-yl)oxy)methyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
1,2-Benzisothiazol-3(2H)-one,2-((((17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl)oxy)methyl)-,1,1-dioxide

Chemical & Physical Properties

[ Density]:
1.347g/cm3

[ Boiling Point ]:
672.2ºC at 760mmHg

[ Molecular Formula ]:
C26H29NO5S

[ Molecular Weight ]:
467.57700

[ Flash Point ]:
360.4ºC

[ Exact Mass ]:
467.17700

[ PSA ]:
92.29000

[ LogP ]:
5.10330

[ Vapour Pressure ]:
5.47E-19mmHg at 25°C

[ Index of Refraction ]:
1.634

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • Methyl 5-(benzyloxy)-2-ethyl-1-oxaspiro[2.3]hexane-2-carboxylate
  • 3-(Cyclohexylmethyl)-3-ethyloxirane-2-carbonitrile
  • rac-methyl (1R,6R)-3'-chlorospiro[bicyclo[4.2.0]octane-7,2'-oxirane]-3'-carboxylate
  • 6,7-Dimethyl-1,5-dioxaspiro[2.4]heptane-2-carbonitrile
  • Methyl 2-chloro-3-methyl-3-[(thiophen-2-yl)methyl]oxirane-2-carboxylate
  • Ethyl 3-methyl-3-[(oxolan-2-yl)methyl]oxirane-2-carboxylate
  • 4-Methyl-1-oxaspiro[2.6]nonane-2-carbonitrile
  • Methyl 2-ethyl-4,4-dimethyl-1,5-dioxaspiro[2.4]heptane-2-carboxylate
  • 5-[Methyl(5-methyloxolan-3-yl)amino]furan-2-carbaldehyde
  • 3-Bromo-2-(3-hydroxypyrrolidin-1-yl)benzaldehyde
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