Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-16-methyl-, (16b,17b)-

Modify Date: 2025-09-21 23:21:09

Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-16-methyl-, (16b,17b)- structure	Common Name	Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-16-methyl-, (16b,17b)-
	CAS Number	5108-94-1	Molecular Weight	316.43500
	Density	1.156g/cm3	Boiling Point	451.3ºC at 760mmHg
	Molecular Formula	C₂₀H₂₈O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	226.8ºC

Name	mytatrienediol
Synonym	More Synonyms

Density	1.156g/cm3
Boiling Point	451.3ºC at 760mmHg
Molecular Formula	C₂₀H₂₈O₃
Molecular Weight	316.43500
Flash Point	226.8ºC
Exact Mass	316.20400
PSA	49.69000
LogP	3.27310
Index of Refraction	1.575
InChIKey	OOVXZFCPCSVSEM-NADOGSGZSA-N
SMILES	COc1ccc2c(c1)CCC1C2CCC2(C)C1CC(C)(O)C2O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KG7550000

CHEMICAL NAME :: Estra-1,3,5(10)-triene-16-beta,17-beta-diol, 3-methoxy-16-methyl-

CAS REGISTRY NUMBER :: 5108-94-1

LAST UPDATED :: 198910

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C20-H28-O3

MOLECULAR WEIGHT :: 316.48

WISWESSER LINE NOTATION :: L E5 B666TTT&J E1 FQ GQ G1 OO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 35 mg/kg

SEX/DURATION :: female 35 day(s) pre-mating

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

REFERENCE :: ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year: 63,561,1958

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 30 mg/kg

SEX/DURATION :: female 30 day(s) pre-mating

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

REFERENCE :: RPHRA6 Recent Progress In Hormone Research. Proceedings of the Laurentian Hormone Conference. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1947- Volume(issue)/page/year: 20,395,1964

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 12 mg/kg

SEX/DURATION :: female 4-6 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 :: JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 9,277,1965

Manvene

Mytatrienediol

17.β.-Estradiol, 16.β.-hydroxy-16-methyl-, 3-methyl ether

16b-Hydroxy-16-methyl-3-methyl ether 17b-estradiol

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Product Name: Estra-1,3,5(10)-triene-16,17-diol,3-methoxy-16-methyl-, (16b,17b)-
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