Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)-

Modify Date: 2024-04-03 11:22:20

Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)- Structure
Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)- structure
Common Name Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)-
CAS Number 337-67-7 Molecular Weight 344.44500
Density 1.25g/cm3 Boiling Point 547.7ºC at 760 mmHg
Molecular Formula C21H28O4 Melting Point N/A
MSDS N/A Flash Point 194.6ºC

 Names

Name u 18317

 Chemical & Physical Properties

Density 1.25g/cm3
Boiling Point 547.7ºC at 760 mmHg
Molecular Formula C21H28O4
Molecular Weight 344.44500
Flash Point 194.6ºC
Exact Mass 344.19900
PSA 63.60000
LogP 3.03070
Index of Refraction 1.585

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU5535000
CHEMICAL NAME :
5-alpha-Pregn-17(20)-en-21-oic acid, 3-beta,16-beta-dihydroxy-11-oxo-, gamma-lactone
CAS REGISTRY NUMBER :
337-67-7
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H28-O4
MOLECULAR WEIGHT :
344.49
WISWESSER LINE NOTATION :
T F5 E5 B666 CV HVO JH&TTTTJ A1 E1 P1 RQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,348,1964
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