16,(5-BETA)-PREGNEN-3-BETA-OL-20-ONE

Modify Date: 2025-09-16 14:55:01

16,(5-BETA)-PREGNEN-3-BETA-OL-20-ONE structure	Common Name	16,(5-BETA)-PREGNEN-3-BETA-OL-20-ONE
	CAS Number	566-60-9	Molecular Weight	316.47800
	Density	1.077g/cm3	Boiling Point	443.7ºC at 760 mmHg
	Molecular Formula	C₂₁H₃₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	189.1ºC

Name	1-[(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Synonym	More Synonyms

Density	1.077g/cm3
Boiling Point	443.7ºC at 760 mmHg
Molecular Formula	C₂₁H₃₂O₂
Molecular Weight	316.47800
Flash Point	189.1ºC
Exact Mass	316.24000
PSA	37.30000
LogP	4.51530
Index of Refraction	1.54
InChIKey	SFXPZLCQRZASKK-UHGZNKHPSA-N
SMILES	CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TU5562000

CHEMICAL NAME :: 5-beta-Pregn-16-en-20-one, 3-alpha-hydroxy-

CAS REGISTRY NUMBER :: 566-60-9

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H32-O2

MOLECULAR WEIGHT :: 316.53

WISWESSER LINE NOTATION :: L E5 B666 FUTJ A1 E1 FV1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

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: 11,117,1968

Precursor 0
DownStream 2
CAS#:80-92-2 Pregnane-3,20-d... CAS#:128-20-1 Pregnanolone

16-Pregnenolone

16-Dehydropregnanolone

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Product Name: 16,(5-BETA)-PREGNEN-3-BETA-OL-20-ONE
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