2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid

Modify Date: 2024-09-15 12:21:49

2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid Structure
2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid structure
 Common Name 2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid
CAS Number 114967-86-1 Molecular Weight 434.58900
Density 1.26g/cm3 Boiling Point 610.6ºC at 760mmHg
Molecular Formula C24H34O5S Melting Point N/A
MSDS N/A Flash Point 323.1ºC

 Names

Name 2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid

 Chemical & Physical Properties

Density 1.26g/cm3
Boiling Point 610.6ºC at 760mmHg
Molecular Formula C24H34O5S
Molecular Weight 434.58900
Flash Point 323.1ºC
Exact Mass 434.21300
PSA 116.97000
LogP 4.02480
Vapour Pressure 1.85E-17mmHg at 25°C
Index of Refraction 1.591

 Synthetic Route

21-bromo-17α-hydroxy-4-pregnene-3,20-dione structure

21-bromo-17α-hy...

CAS#:20380-17-0

2-Mercaptopropionic acid structure

2-Mercaptopropi...

CAS#:79-42-5

~77%

2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid Structure

2-[2-[(10R,13S,...

CAS#:114967-86-1

Literature: Pshenichnyi, V. N.; Mikhal'chuk, A. L.; Khripach, V. A. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 3.2 p. 507 - 512 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 3 p. 565 - 571
17α-hydroxy-21-[(methylsulfonyl)oxy]pregn-4-ene-3,20-dione structure

17α-hydroxy-21-...

CAS#:82427-84-7

2-Mercaptopropionic acid structure

2-Mercaptopropi...

CAS#:79-42-5

~82%

2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid Structure

2-[2-[(10R,13S,...

CAS#:114967-86-1

Literature: Pshenichnyi, V. N.; Mikhal'chuk, A. L.; Khripach, V. A. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 3.2 p. 507 - 512 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 3 p. 565 - 571
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Chemsrc provides CAS#:114967-86-1 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid>> amp version: 2-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]sulfanylpropanoic acid

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