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

Related Compounds

  • 5-[1-(4-Tert-butylbenzoyl)pyrrolidin-2-yl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
  • CID 75527858
  • 3-(3,4-Dimethoxyphenyl)-5-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
  • 3-(3,4-Dimethoxyphenyl)-5-{1-[(3-methylphenoxy)acetyl]pyrrolidin-2-yl}-1,2,4-oxadiazole
  • 3-(3,4-Dimethoxyphenyl)-5-[1-(phenylacetyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
  • CID 75527864
  • 5-{1-[(3,4-Diethoxyphenyl)acetyl]pyrrolidin-2-yl}-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
  • 3-(3,4-Dimethoxyphenyl)-5-[1-(3-methoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
  • 3-(3,4-Dimethoxyphenyl)-5-[1-(3-methylbenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
  • 4-({2-[3-(3,4-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}carbonyl)benzonitrile
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