3-alpha-Ethoxycarbonyl-12-alpha-hydroxy-7-oxocholan-24-oic acid, methy l ester

Modify Date: 2025-09-18 20:29:54

3-alpha-Ethoxycarbonyl-12-alpha-hydroxy-7-oxocholan-24-oic acid, methy l ester structure	Common Name	3-alpha-Ethoxycarbonyl-12-alpha-hydroxy-7-oxocholan-24-oic acid, methy l ester
	CAS Number	73771-71-8	Molecular Weight	476.64500
	Density	1.116g/cm3	Boiling Point	560ºC at 760 mmHg
	Molecular Formula	C₂₈H₄₄O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	174.8ºC

Name	ethyl (3R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3-carboxylate

Density	1.116g/cm3
Boiling Point	560ºC at 760 mmHg
Molecular Formula	C₂₈H₄₄O₆
Molecular Weight	476.64500
Flash Point	174.8ºC
Exact Mass	476.31400
PSA	89.90000
LogP	4.56370
Index of Refraction	1.514
InChIKey	IEGZAMNMNIJBBM-AMHABCAISA-N
SMILES	CCOC(=O)C1CCC2(C)C(CC(=O)C3C2CC(O)C2(C)C(C(C)CCC(=O)OC)CCC32)C1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FZ2260000

CHEMICAL NAME :: Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester

CAS REGISTRY NUMBER :: 73771-71-8

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C28-H44-O6

MOLECULAR WEIGHT :: 476.72

WISWESSER LINE NOTATION :: L E5 B666 KVTJ A1 DQ E1 FY1&2VO1 OVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04552

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