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]sulfanylacetic acid

Modify Date: 2024-01-11 08:04:26

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]sulfanylacetic 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]sulfanylacetic 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]sulfanylacetic acid
CAS Number 114967-85-0 Molecular Weight 420.56200
Density 1.28g/cm3 Boiling Point 607.2ºC at 760mmHg
Molecular Formula C23H32O5S Melting Point N/A
MSDS N/A Flash Point 321ºC

 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]sulfanylacetic acid

 Chemical & Physical Properties

Density 1.28g/cm3
Boiling Point 607.2ºC at 760mmHg
Molecular Formula C23H32O5S
Molecular Weight 420.56200
Flash Point 321ºC
Exact Mass 420.19700
PSA 116.97000
LogP 3.63630
Vapour Pressure 2.8E-17mmHg at 25°C
Index of Refraction 1.598

 Synthetic Route

~96%

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]sulfanylacetic acid Structure

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

CAS#:114967-85-0

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

~80%

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]sulfanylacetic acid Structure

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

CAS#:114967-85-0

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

~76%

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]sulfanylacetic acid Structure

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

CAS#:114967-85-0

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

~25%

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]sulfanylacetic acid Structure

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

CAS#:114967-85-0

Literature: Mikhal'chuk, A. L.; Pschenichnyi, V. N. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 8.1 p. 1479 - 1485 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 8 p. 1686 - 1693
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