21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione

Modify Date: 2025-08-21 10:28:54

21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione Structure
21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione structure
Common Name 21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione
CAS Number 3044-42-6 Molecular Weight 384.46500
Density 1.24g/cm3 Boiling Point 553.4ºC at 760mmHg
Molecular Formula C23H28O5 Melting Point N/A
MSDS N/A Flash Point 189.9ºC

 Names

Name [2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.24g/cm3
Boiling Point 553.4ºC at 760mmHg
Molecular Formula C23H28O5
Molecular Weight 384.46500
Flash Point 189.9ºC
Exact Mass 384.19400
PSA 80.67000
LogP 2.93360
Index of Refraction 1.584
InChIKey ABGUZAVIFZZDDZ-MHYQPVDNSA-N
SMILES CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C

 Safety Information

Hazard Codes Xi

 Synthetic Route

~88%

21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione Structure

21-Acetoxy-11be...

CAS#:3044-42-6

Literature: Florida Agricultural and Mechanical University Patent: US4762919 A1, 1988 ;

~78%

21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione Structure

21-Acetoxy-11be...

CAS#:3044-42-6

Literature: Schering Aktiengesellschaft Patent: US4290963 A1, 1981 ;

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21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione Structure

21-Acetoxy-11be...

CAS#:3044-42-6

Literature: Green, Michael J.; Tiberi, Robert L.; Friary, Richard; Lutsky, Barry N.; Berkenkoph, Joseph; et al. Journal of Medicinal Chemistry, 1982 , vol. 25, # 12 p. 1492 - 1495

~%

21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione Structure

21-Acetoxy-11be...

CAS#:3044-42-6

Literature: Green, Michael J.; Tiberi, Robert L.; Friary, Richard; Lutsky, Barry N.; Berkenkoph, Joseph; et al. Journal of Medicinal Chemistry, 1982 , vol. 25, # 12 p. 1492 - 1495

~%

21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione Structure

21-Acetoxy-11be...

CAS#:3044-42-6

Literature: Taraporewala; Kim; Heiman; Lee Arzneimittel-Forschung/Drug Research, 1989 , vol. 39, # 1 p. 21 - 25

~%

21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione Structure

21-Acetoxy-11be...

CAS#:3044-42-6

Literature: Yoon, Kyoung-Jin; Khalil, Mounir A.; Kwon, Taesoo; Choi, Sun-Ju; Lee, Henry J. Steroids, 1995 , vol. 60, # 7 p. 515 - 521

 Synonyms

(11|A)-11-hydroxy-3,20-dioxopregna-1,4,16-trien-21-yl acetate
21-Acetoxy-11beta -hydroxypregna-1,4,16-triene-3,20-dione
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