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

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Names

[ CAS No. ]:
337-68-8

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

[Synonym ]:
[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

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