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

CAS 5108-94-1 MFCD05108941

化学结构图

5108-94-1
SMILES: COc1ccc2c(c1)CCC1C2CCC2(C)C1C[C@](C)(O)[C@@H]2O

化学属性

Mol. Weight316.48
Mol. FormulaC20H28O3

别名和识别编码

Wiswesser Line NotationL E5 B666TTT&J E1 FQ GQ G1 OO1
Chemical Name(16S,17R)-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
Synonym Estra-1,3,5(10)-triene-16,17-diol, 3-methoxy-16-methyl-, Anvene
CAS Number5108-94-1
Chemicalbook IDCB61459425
PubChem Substance ID5282364
InChIInChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1
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安全信息

RTECSKG7550000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
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
SPECIES OBSERVED        : Rodent - mouse
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

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
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

系列性分类

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