(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate（CAS番号：95716-70-4）

(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate

基本情報

編集器で閲覧

CAS番号

95716-70-4

分子式

C24H30O5

分子量

398.49 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品ケトン類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品界面活性剤アニオン性界面活性剤

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

基本的な物理特性

沸点

580.2°C at 760 mmHg

SMILES

編集器で閲覧

CC12CCC(=O)C=C1CC(C3C2=CCC4(C3CCC45CCC(=O)O5)C)C(=O)OC

InChI

InChI=1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,12,16,18,20H,4,6-11,13H2,1-3H3/t16-,18+,20-,22+,23+,24-/m1/s1

InChIKey

GWEKWJOSBYDYDP-DPOGTSLVSA-N

LogP

3.913300000000003

トポロジカル極性表面積

69.67 Å²

水素結合ドナー/アクセプター

0 / 5

複雑度

869

安全情報

安全情報を表示

危険性の表示

H302 飲み込むと有害
急性毒性（経口）

H315 皮膚刺激
皮膚腐食性/刺激性

H319 強い眼刺激
眼に対する重篤な損傷性/眼刺激性

H402 水生生物に有害
水生環境有害性（急性）

同義語と引用データ

英語

Pregna-4,9(11)-diene-7,21-dicarboxylic acid,17-hydroxy-3-oxo-g-lactone,methyl ester(7a,17a)-
Δ9,11-Eplerenone
(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
(7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylic acid g-lactone methyl ester
Eplerenone intermediate
Pregna-4,9(11)-diene-7,21-dicarboxylicacid, 17-hydroxy-3-oxo-, g-lactone, methyl ester, (7a,17a)- (9CI)
7a-(Methoxycarbonyl)-9(11)D-canrenone
D9,11-Eplerenone
Methyl (8R,10S,13S,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopen
Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, methyl ester, (7α,17α)- (9CI)
7α-(Methoxycarbonyl)-9(11)Δ-canrenone
methyl (7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate
Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, ?-lactone, 7-methyl ester, (7a,17a)-; Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, ?-lactone, methyl ester, (7a,17a)- (9CI); 7a-(Methoxycarbonyl)-9(11)?-canrenone; ?9,11-Eplerenone; 7a-(Methoxycarbonyl)-3-oxo-17a-pregna-4,9(11)-diene-21,17-carbolactone
95716-70-4
DS-1266
(7a,17a)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester
METHYL (1R,3AS,3BR,4R,9AS,11AS)-9A,11A-DIMETHYL-5',7-DIOXO-3,3A,3B,4,5,8,9,11-OCTAHYDRO-2H-SPIRO[CYCLOPENTA[A]PHENANTHRENE-1,2'-OXOLANE]-4-CARBOXYLATE
Delta9,11-Eplerenone
SCHEMBL14085016
(7alpha,17alpha)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylic Acid gamma-Lactone 7-Methyl Ester
Eplerenone impurity C [EP]
CS-0158286
(7alpha,17alpha)-17-Hydroxy-3-oxo-pregna-4,9(11)-diene-7,21-dicarboxylicacid g-lactone methyl ester
J8799R5TMR
7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGNA-4,9(11)-DIENE-21,17-CARBOLACTONE
AKOS015920137
Pregna-4,9(11)-diene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, 7-methyl ester, (7alpha,17alpha)-
Q-102808
PREGNA-4,9(11)-DIENE-7,21-DICARBOXYLIC ACID, 17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, 7-METHYL ESTER, (7.ALPHA.,17.ALPHA.)-
C24H30O5
7alpha-(Methoxycarbonyl)-3-oxo-17alpha-pregna-4,9(11)-diene-21,17-carbolactone