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	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

Name	u 18317

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
InChIKey	RZZGDMCXYZWMKR-NFTCQYMWSA-N
SMILES	CC12CC(=O)C3C(CCC4CC(O)CCC43C)C1CC1OC(=O)C=C12

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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