1091-94-7 (甲基-乙醚-（8alpha，14beta）-雌酮，INN,Me ether-(8alpha,14beta)-Estrone,INN)

快速询单

结构式：

甲基-乙醚-（8alpha，14beta）-雌酮，INNMOL文件

CAS号：

1091-94-7

中文名称：

甲基-乙醚-（8alpha，14beta）-雌酮，INN

英文名称：

Me ether-(8alpha,14beta)-Estrone,INN

分子式：

C₁₉H₂₄O₂

分子量：

284.392665863037

甲基-乙醚-（8alpha，14beta）-雌酮，INN(1091-94-7)名称与标识符

名称

英文别名：

Me ether-(8alpha,14beta)-Estrone,INN;Me ether-(±)-(8alpha,14beta)-Estrone,INN;Me ether-(±)-14beta-Estrone,INN;Me ether-(±)-Estrone,INN;Me ether-14beta-Estrone,INN;Me ether-Estrone,INN;1624-62-0;(8R,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one;(+)-ESTRONE METHYL ETHER;Opera_ID_364;MFCD00046228;Oestrone methyl ether;59359RSB8X;Estra-1,3,5(10)-trien-17-one, 3-methoxy-;Estra-1,3,5(10)-trien-17-one, 3-(methoxy)-, (+/-)-;Estrone methyl ether DL-form [MI];SCHEMBL959954;3-Methoxy-estra-1,3,5(10)-trien-17-one;(+)-Estrone 3-methyl ether;3-Methoxyestrone;AS-64509;3-Methoxyestrone;DL-Estrone methyl ether;Oestrone methyl ether;3-O-Methylestrone;Estrone 3-methyl ether, >=97% (HPLC);216-613-3;3-METHOXYESTRA-1,3,5-TRIEN-17-ONE;MLS000028621;HMS2231D16;SMR000058657;(+)-ESTRONE 3-METHYL ETHER;(3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one;cid_92895;UNII-4SMZ4A51IJ;Estra-1,5(10)-trien-17-one, 3-methoxy-;MLS001076149;Estrone methyl ether;D87965;Estrone methyl ether, (+/-)-;(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;NS00004754;3-Methoxyoestra-1,3,5(10)-trien-17-one;UNII-59359RSB8X;E0917;3-methoxy-estra-1,3,5(10)-trien-17-one;3-o-methyl estrone;Estra-1,3,5(10)-trien-17-one, 3-methoxy-(8CI)(9CI);3-Methoxyestra-1,3,5(10)-trien-17-one;3-methoxyestra-1,3,5(10)triene-17-one;EINECS 216-613-3;CHEMBL1409077;NSC88911;ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-METHOXY;Estra-1,3,5(10)-trien-17-one, 3-methoxy-(8CI);1,3,5(10)estratrien3ol-17one methyl ether;3-methoxy-13beta-methylgona-1,3,5 -(10)-trien-17-one;3-methoxy-13beta-methylgona-1,3,5(10)-trien-17-one;Estrone 3-methyl ether;4SMZ4A51IJ;BDBM48630;AKOS005111019;EC 216-613-3;AKOS015851913;HY-79576;1,3,5(10)estratrien-3ol-17one methyl ether;1091-94-7;CS-M3026;FM25494;(+/-)-O-Methylestrone;DTXSID40167368;NSC 88911;3-methylether-estrone;DTXCID5089859;NSC-88911;Q63392002;3-Methoxy-1,3,5(10)-estratrien-17-one;Estrone methyl ether, DL-;3-O-Methylestrone;

标识符

InChIKey：

BCWWDWHFBMPLFQ-UHFFFAOYSA-N

Inchi：

1S/C19H24O2/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/h4,6,11,15-17H,3,5,7-10H2,1-2H3

SMILES：

COC1C=C2C(C3C(CC2)C2CCC(C2(C)CC3)=O)=CC=1

甲基-乙醚-（8alpha，14beta）-雌酮，INN(1091-94-7)物化性质

计算特性

精确分子量 : 284.177630004Da
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 284.177630004Da
重原子数量 : 21
复杂度 : 431
同位素原子数量 : 0
确定原子立构中心数量 : 4
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.5
拓扑分子极性表面积 : 26.3Å²

甲基-乙醚-（8alpha，14beta）-雌酮，INN(1091-94-7)相关文献

1. Cycloaddition route to 14,17-ethano- and 14-alkyl-19-norsteroids
James R. Bull,Russell I. Thomson J. Chem. Soc. Perkin Trans. 1 1990 241
2. New selenosteroids as antiproliferative agents
Alma Fuentes-Aguilar,Laura L. Romero-Hernández,Ailed Arenas-González,Penélope Merino-Montiel,Sara Montiel-Smith,Socorro Meza-Reyes,José Luis Vega-Báez,Gabriela B. Plata,José M. Padrón,óscar López,José G. Fernández-Bola?os Org. Biomol. Chem. 2017 15 5041
3. Regioselective synthesis of 2-chloromercurio-estradiol and -estrone derivatives: a novel approach to A-ring substituted estrogens
Enzo Santaniello,Alberto Fiecchi,Patrizia Ferraboschi,Manuela Ravasi J. Chem. Soc. Perkin Trans. 1 1983 2765
4. Steroidal heterocycles: synthesis and structure of imidazo[2,1-b]thiazolo-, thiazolo[3,2-a]benzimidazolo-, and thiazolo[3,2-b]-s-triazolo-derivatives
Joginder S. Bajwa,Peter J. Sykes J. Chem. Soc. Perkin Trans. 1 1980 2146
5. Synthesis, crystal and molecular structure of a 1,11-etheno-steroid: 3-methoxy-1,11-ethenoestra-1,3,5(10),9(11)-tetraen-17-one
Colin G. Pitt,Douglas H. Rector,David H. White,Mansukh C. Wani,Andrew T. McPhail,Kay D. Onan J. Chem. Soc. Perkin Trans. 1 1977 1144
6. Microwave-assisted one-pot synthesis of steroid–quinoline hybrids and an evaluation of their antiproliferative activities on gynecological cancer cell lines
ádám Baji,András Gyovai,János W?lfling,Renáta Minorics,Imre Ocsovszki,István Zupkó,éva Frank RSC Adv. 2016 6 27501
7. New steroidal heterocycles: synthesis and structure of androst-4-eno[3,2-f]-(s-triazolo[4,3-b]pyridazine), androstano[17,16-f]-(s-triazolo[4,3-b]pyridazines), and 2-(1,2,4-triazol-4-ylaminomethylene)-3-(1,2,4-triazol-4-ylamino)-5α-androst-2-ene
Joginder S. Bajwa,Peter J. Sykes J. Chem. Soc. Perkin Trans. 1 1979 1816
8. Manganese-catalyzed hydrogenation, dehydrogenation, and hydroelementation reactions
Kuhali Das,Satyadeep Waiba,Akash Jana,Biplab Maji Chem. Soc. Rev. 2022 51 4386
9. 1048. Spectra and stereochemistry. Part VI. A novel cleavage of ring D during dehydrogenation of ?strone methyl ether
A. D. Cross,H. Carpio,P. Crabbé J. Chem. Soc. 1963 5539
10. A mild two-step propargylation of aromatic bioactive small molecules
Naoki Kanoh,Toshitaka Okamura,Takahiro Suzuki,Yoshiharu Iwabuchi Org. Biomol. Chem. 2017 15 7190

79002-32-7(2-氨基-2-(苯并呋喃-5-基)乙酰胺) 790254-33-0(1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carbaldehyde) 791098-21-0(Methyl 4-iodo-2-nitrobenzoate) 78406-90-3((2-BROMOPHENETHYL)GUANIDINE) 784142-83-2(1-(3-溴苯基)-5-甲基-1H-吡唑-3-羧酰胺) 791614-77-2(ETHYL 2-(5-BROMOBENZO[D]THIAZOL-2-YL)ACETATE) 79128-88-4(3-(Chloromethyl)benzophenone) 79139-61-0(4-苯基-2,8-二氮杂螺[4.5]-1-癸酮)

960化工网为您提供甲基-乙醚-（8alpha，14beta）-雌酮，INN专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.1091-94-7,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:1091-94-7 国际站:1091-94-7

1091-94-7 (甲基-乙醚-（8alpha，14beta）-雌酮，INN,Me ether-(8alpha,14beta)-Estrone,INN)

甲基-乙醚-（8alpha，14beta）-雌酮，INN(1091-94-7)名称与标识符

名称

标识符

甲基-乙醚-（8alpha，14beta）-雌酮，INN(1091-94-7)物化性质

计算特性

甲基-乙醚-（8alpha，14beta）-雌酮，INN(1091-94-7)相关文献

目录