39931-87-8
中文名称
(5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
英文名称
(5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
CAS
39931-87-8
分子式
C20H26O4
分子量
330.42
MOL 文件
39931-87-8.mol
39931-87-8 结构式
基本信息
中文别名
(5ALPHA,10ALPHA)-5,10-环氧-雌甾-9(11)-烯-3,17-二酮环3-(1,2-乙二基缩醛) 英文别名
BAMMJXIMVWLRCU-YAUBAPCASA-N(5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
(5a,10b)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal)
Estr-9(11)-ene-3,17-dione, 5,10-epoxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,10α)-
(5α,10α)-5,10-Epoxy-estr-9(11)-ene-3,17-dione Cyclic 3-(1,2-Ethanediyl Acetal), CAS 39931-87-8
13'-methyl-1',2',6',7',8',12',13',14',15',16'-decahydro-4'H,17'H-spiro[[1,3]dioxolane-2,3'-[5,10]epoxycyclopenta[a]phenanthren]-17'-one
(5′R,8′S,10′R,13′S,14′S)-13′-methyl-1′,2′,6′,7′8′,12′,13′,14′,15′,16′-decahydro-17′H-spiro[1,3-dioxolane-2,3′-[5,10]epoxycyclopenta[a]phenantren]-17′-one
物理化学性质
熔点135-139°C
沸点499.1±45.0 °C(Predicted)
密度1.29±0.1 g/cm3(Predicted)
储存条件Refrigerator
溶解度Chloroform, Dichloromethane, Ethyl Acetate
形态Solid
颜色Pale Yellow
PH值9.01 at 24.5℃ and 1000g/L
InChIInChI=1/C20H26O4/c1-17-6-5-15-13(14(17)2-3-16(17)21)4-7-18-12-19(22-10-11-23-19)8-9-20(15,18)24-18/h5,13-14H,2-4,6-12H2,1H3/t13-,14+,17-,18-,20-/s3
InChIKeyBAMMJXIMVWLRCU-KMXXOIMFNA-N
SMILESC1[C@@]23O[C@@]2(CC[C@H]2[C@H]4CCC(=O)[C@@]4(C)CC=C23)CC2(OCCO2)C1 |&1:1,3,6,7,12,r|
LogP2.7 at 30℃ and pH5