(8S,9S,13S,14S)-17-(2-bromoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11, 12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene

Modify Date: 2025-09-18 14:25:03

(8S,9S,13S,14S)-17-(2-bromoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11, 12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene structure	Common Name	(8S,9S,13S,14S)-17-(2-bromoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11, 12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
	CAS Number	7548-46-1	Molecular Weight	403.35300
	Density	1.31g/cm3	Boiling Point	481.5ºC at 760 mmHg
	Molecular Formula	C₂₂H₂₇BrO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	201ºC

Name	(8S,9S,13S,14S)-17-(2-bromoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11, 12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
Synonym	More Synonyms

Density	1.31g/cm3
Boiling Point	481.5ºC at 760 mmHg
Molecular Formula	C₂₂H₂₇BrO₂
Molecular Weight	403.35300
Flash Point	201ºC
Exact Mass	402.11900
PSA	18.46000
LogP	5.29230
Index of Refraction	1.594
InChIKey	PAAJJNWRSCPYBM-RPKDUVEISA-N
SMILES	COc1ccc2c(c1)CCC1C2CCC2(C)C1CCC2(C#CBr)OC

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RC8924700

CHEMICAL NAME :: 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne, 21-bromo-3,17-dimethoxy-

CAS REGISTRY NUMBER :: 7548-46-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C22-H27-Br-O2

MOLECULAR WEIGHT :: 403.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1500 ug/kg

SEX/DURATION :: female 1-5 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 53,443,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 24 ug/kg

SEX/DURATION :: female 3 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 53,443,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 180 ug/kg

SEX/DURATION :: female 1-5 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

REFERENCE :: ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 53,443,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 36300 ng/kg

SEX/DURATION :: female 3 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 53,443,1966

di(1-adamantyl)selenide structure

di(1-adamantyl)...

CAS#:7548-45-0

~%

(8S,9S,13S,14S)-17-(2-bromoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11, 12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene Structure

(8S,9S,13S,14S)...

CAS#:7548-46-1

Literature: Burgess; Cooley; Feather; Petrow Tetrahedron, 1967 , vol. 23, # 10 p. 4111 - 4116

bdh-6140

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