16-beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone

Modify Date: 2024-04-02 20:33:43

16-beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone Structure
16-beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone structure
Common Name 16-beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
CAS Number 337-68-8 Molecular Weight 340.41300
Density 1.27g/cm3 Boiling Point 574.6ºC at 760 mmHg
Molecular Formula C21H24O4 Melting Point N/A
MSDS N/A Flash Point 253.6ºC

 Names

Name Pregna-4,17(20)-dien-21-oic acid, 16.β.-hydroxy-3,11-dioxo-, .γ.-lactone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 574.6ºC at 760 mmHg
Molecular Formula C21H24O4
Molecular Weight 340.41300
Flash Point 253.6ºC
Exact Mass 340.16700
PSA 60.44000
LogP 3.15900
Index of Refraction 1.594

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4156000
CHEMICAL NAME :
Pregna-4,17(20)-dien-21-oic acid, 16-beta-hydroxy-3,11-dioxo-, gamma-lactone
CAS REGISTRY NUMBER :
337-68-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H24-O4
MOLECULAR WEIGHT :
340.45
WISWESSER LINE NOTATION :
T F5 E5 B666 CV HVO RV PU JH&TTTTJ A1 E1

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 :
79 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

 Synonyms

[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
[3-[5-[5-(4,5-dihydroxy-6-methyl-oxan-2-yl)oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] methanoate
O16-Formyl-gitoxin
16-Formylgitoxin
formic acid [3-[5-[5-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
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