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Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, .gamma.-lactone, (7.alpha.,17.alpha.)-

View entire compound with spectra: 1 MS (GC)

Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, .gamma.-lactone, (7.alpha.,17.alpha.)-
SpectraBase Compound ID 8A8Z0zVb5nF
InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19-,21?,22?,23?,24+/m1/s1
InChIKey LXMSZDCAJNLERA-WJUUIDQOSA-N
Mol Weight 416.6 g/mol
Molecular Formula C24H32O4S
Exact Mass 416.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRfrmQXY0tB
Name Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, .gamma.-lactone, (7.alpha.,17.alpha.)-
CAS Registry Number 52-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O4S
InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19-,21?,22?,23?,24+/m1/s1
InChIKey LXMSZDCAJNLERA-WJUUIDQOSA-N
Molecular Weight 416.576 g/mol
SMILES C12(C(=CC(CC2)=O)C[C@](C2C3CC[C@]4(C3(CCC12)C)OC(=O)CC4)(SC(=O)C)[H])C
SPLASH splash10-0006-7927000000-570e2eb0f5e2e12e7019
Source of Spectrum T-68-5114-0
Synonyms 17-Hydroxy-7.alpha.-mercapto-3-oxo-17.alpha.-pregn-4-ene-21-carboxylic acid .gamma.-lactone acetate 17.alpha.-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7.alpha.-mercapto-3-oxo-, .gamma.-lactone, acetate 3'-(3-Oxo-7-.alpha.-acetylthio-17-.beta.-hydroxyandrost-4-en-17-.beta.-yl)propionic acid lactone 3-(3-Keto-7.alpha.-acetylthio-17.beta.-hydroxy-4-androsten-17.alpha.-yl)propionic acid lactone 7-.alpha.-(acetylthio)-17-.alpha.-hydroxy-3-oxopregn-4-ene-21-carboxylic acid, .gamma.-lactone 7-.alpha.-Acetylthio-3-oxo-17-.alpha.-pregn-4-ene-21,17-.beta.-carbolactone Abbolactone Acelat Aldace Aldactazide Aldactide Aldactone Aldactone A Alderon Aldopur Almatol Altex Aquareduct Deverol Diatensec Dira Duraspiron Espironolactona Ethanethioic acid S-(10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]yl) ester Ethanethioic acid S-(3,5'-diketo-10,13-dimethyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl) ester Euteberol Lacalmin Lacdene Laractone Melarcon Nefurofan Osiren Osyrol Pregn-4-ene-21-carboxylic acid, 7-(acetylthio)-17-hydroxy-3-oxo-, gamma-lactone, (7alpha,17alpha)- S-(10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl) ethanethioate S-(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-yl) ethanethioate Sagisal Sincomen Spiresis Spiretic Spiridon Spiro(17H-cyclopenta(a)phenauthrene-17,2'-(3'H)-furan) Spiro-Tablinen Spiroctan Spiroctanie Spiroderm Spirolactone Spirolakton Spirolang Spirolone Spirone Spironocompren Spironolactone Spironolactone A Spironolactonum Spironolattone Sprioderm Supra-puren Suracton Uractone Urusonin Verospiron Verospirone Verospirone Opianin Xenalon Ethanethioic acid S-[(7R,17S)-10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]yl] ester S-[(7R,17S)-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-yl] ethanethioate S-[(7R,17S)-10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-yl] ethanethioate S-[(7R,17S)-10,13-dimethyl-3,5'-bis(oxidanylidene)spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate BRN 0057767 EINECS 200-133-6 HSDB 3184 NSC 150399 SC 15983 SC 9420
Wiley ID 58430