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

Modify Date: 2024-04-05 21:41:52

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 Structure
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 structure
Common 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
CAS Number 157231-19-1 Molecular Weight 467.57700
Density 1.347g/cm3 Boiling Point 672.2ºC at 760mmHg
Molecular Formula C26H29NO5S Melting Point N/A
MSDS N/A Flash Point 360.4ºC

 Names

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 More Synonyms

 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

~%

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 Structure

2-[[(8R,9S,13S,...

CAS#:157231-19-1

Literature: Patel; Prankerd; Sloan Journal of Pharmaceutical Sciences, 1994 , vol. 83, # 10 p. 1477 - 1481

~%

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 Structure

2-[[(8R,9S,13S,...

CAS#:157231-19-1

Literature: Patel; Prankerd; Sloan Journal of Pharmaceutical Sciences, 1994 , vol. 83, # 10 p. 1477 - 1481

 Synonyms

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