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3beta, 17beta-dihydroxy-17alpha -pregna-4,6-diene-21-carboxylic acid-gamma-lactone.

View entire compound with spectra: 1 MS (GC)

3beta, 17beta-dihydroxy-17alpha -pregna-4,6-diene-21-carboxylic acid-gamma-lactone.
SpectraBase Compound ID KNVwSq5IDiG
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16?,17?,18?,20?,21?,22-/m1/s1
InChIKey UJVLDDZCTMKXJK-RSPKNDIPSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdIY6VhTGcn
Name 3beta, 17beta-dihydroxy-17alpha -pregna-4,6-diene-21-carboxylic acid-gamma-lactone.
CAS Registry Number 67605-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16?,17?,18?,20?,21?,22-/m1/s1
InChIKey UJVLDDZCTMKXJK-RSPKNDIPSA-N
Molecular Weight 340.463 g/mol
SMILES C12(C(C=CC3C2CCC2([C@@]4(OC(=O)CC4)CCC32)C)=CC(CC1)=O)C
SPLASH splash10-0udi-0093000000-ab3861a3ce95f48f5eb1
Source of Spectrum KO-5-527-7a
Synonyms 17.alpha.-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-quinone 17-Hydroxy-3-oxo-17.alpha.-pregna-4,6-diene-21-carboxylic acid .gamma.-lactone 17.alpha.-(2-Carboxyethyl)-17.beta.-hydroxyandrosta-4,6-dien-3-one lactone 20-Spiroxa-4,6-diene-3,21-dione Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone, (17.alpha.)- Aldadiene Canrenon Canrenona Canrenone Canrenonum Phanurane Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- BRN 0046602 EINECS 213-554-5 NSC 261713 RP 11641 SC-9376 Spirolactone SC 14266
Wiley ID 1336921