(8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol 17B-羟基-3-甲氧基-1,3,5(10)-雌三烯

CAS 1035-77-4 MFCD00051148

化学结构图

1035-77-4
SMILES: COc1ccc2c(c1)CCC1C2CCC2(C)C(O)CCC12

化学属性

Mol. FormulaC19H26O2
Mol. Weight286.45

别名和识别编码

Chemical Name(8R,9S,13S,14S,17S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
CAS Number1035-77-4
Synonym Oestradiol 3-methyl ether (8R,13S,17S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol 17-beta-Estradiol 3-methyl ether β-雌二醇 3-甲醚 溶液 3-Methoxyoestradiol 3-methoxyoestra-1,3,5(10)-trien-17-β-ol Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17-beta)- Estradiol 3-methyl ether 3-Methoxyestra-1,3,5(10)-trien-17-beta-ol 3-Methoxy-estra-1,3,5(10)-triene-17-beta-ol (8R,13S,17S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol 1,3,5(10)-雌三烯-3,17β-二醇 3-甲醚 17β-羟基-3-甲氧基-1,3,5(10)-雌三烯 (17?)-
Chemical Name Translation17B-羟基-3-甲氧基-1,3,5(10)-雌三烯
EC Number200-835-2
Wiswesser Line NotationL E5 B666TTT&J E1 FQ OO1
LabNetwork Molecule IDLN00194153
PubChem Substance ID246206
InChIInChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16-,17+,18+,19+/m1/s1
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分类

  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SNA} Aldehydes, Building Blocks, C13-C60, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • Steroids
  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; alcohol; ether; chiral; 1fragment

产品应用

  • Estradiol derivative which shows antioxidant activity.

相关文献及参考

  • Fotsis, T., et al.: J. Steroid. Biochem., 28, 215
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302+H312+H332
  • H332 Harmful if inhaled 吸入有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302 Harmful if swallowed 吞食有害
WGK Germany2
Signal word Danger
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Hazard Codes F,Xn
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Risk Statements
  • R11 Highly flammable 非常易燃
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36 Irritating to eyes 刺激眼睛
Storage condition 储存温度2-8°C
RTECSKG7732000
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 3 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   85GRAA "The Control of Fertility," Pincus, G., New York, Academic Press,
   1965  Volume(issue)/page/year: -,57,1965

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 132 ug/kg
SEX/DURATION            : female 3 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   ACENA7 Acta Endocrinologica (Copenhagen).  (Periodica, Skolegade 12 E,
   DK-2500 Valby, Denmark) V.1-    1948-  Volume(issue)/page/year: 47,444,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500 ug/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Fertility - other measures of fertility
REFERENCE :
   ACENA7 Acta Endocrinologica (Copenhagen).  (Periodica, Skolegade 12 E,
   DK-2500 Valby, Denmark) V.1-    1948-  Volume(issue)/page/year: 49,193,1965

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effec

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

系列性分类


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