Methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate（CAS号：192704-56-6）

11A-羟基坎利酮丙烯酸甲酯

基本信息

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CAS号

192704-56-6

分子式

C24H32O6

分子量

416.51 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酮类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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CC12CCC(=O)C=C1CC(C3C2C(CC4(C3CCC45CCC(=O)O5)C)O)C(=O)OC

InChI

InChI=1S/C24H32O6/c1-22-7-4-14(25)10-13(22)11-15(21(28)29-3)19-16-5-8-24(9-6-18(27)30-24)23(16,2)12-17(26)20(19)22/h10,15-17,19-20,26H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,20+,22+,23+,24-/m1/s1

InChIKey

ZYDNRZOTRVTMRC-IIYDDONESA-N

LogP

2.9640000000000013

拓扑极性表面积

89.9 Å²

氢键供体/受体

1 / 6

复杂度

847

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H332 吸入有害
急性毒性-吸入

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

methyl (1R,3aS,3bS,4R,9aR,9bS,10R,11aS)-10-hydroxy-9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-4-carboxylate
11-A-Hydroxy canrenone methyl ester
methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
Pregn-4-ene-7,21-dicarboxylic acid, 11,17-dihydroxy-3-oxo-, gamma-lactone, methyl ester, (7alpha,11alpha,17alpha)-
MFCD18252911
AKOS015920011
DTXSID00348419
CS-0158285
methyl (1'S,2R,2'R,9'R,10'S,11'S,15'S,17'R)-17'-hydroxy-2',15'-dimethyl-5,5'-dioxospiro[oxolane-2,14'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan]-6'-ene-9'-carboxylate
CS340
11Alpha-Hydroxy Mexrenone
DS-1070
11-alpha-Hydroxy canrenone methyl ester
192704-56-6
C73669
(2'R,7R,8S,9S,10R,11R,13S,14S)-methyl11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
BDBM225710
(2'R,7R,8S,9S,10R,11R,13S,14S)-methyl 11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
Pregn-4-ene-7,21-dicarboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, methyl ester, (7a,11a,17a)-
11-Alpha-Hydroxy canrenone methyl ester
11α-Hydroxy Mexrenone
11alpha-Hydroxymexrenone
W4125
Eplerenone intermediate A2
11α-HydroxEplerenone Impurity
11α,17β-Dihydroxypregn-4-en-3-one 7α,21-dicarboxylic Acid γ-Lactone Methyl Ester
11-ALPHA-HYDROXY-7-ALPHA-(METHOXYCARBONYL)-3-OXOPREGN-4-ENE-21,17-ALPHA-CARBOLACTONE
(7α,11α,17α)-11,17-Dihydroxy-3-oxopregn-4-ene-7,21-dicarboxylic Acid γ-Lactone Methyl Ester
11α-HydroxyMexrenone
ST24027181
(2'R,7R,