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9-ALPHA-HYDROXYCANRENONE;9-ALPHA,17-BETA-DIHYDROXY-3-OXO-4,6-ANDROSTADIENE-17-ALPHA-PROPIONIC-ACID-GAMMA-LACTONE
SpectraBase Compound ID KsneB5QXc4u
InChI InChI=1S/C22H28O4/c1-19-8-5-15(23)13-14(19)3-4-17-16-6-9-21(10-7-18(24)26-21)20(16,2)11-12-22(17,19)25/h3-4,13,16-17,25H,5-12H2,1-2H3/t16-,17-,19-,20-,21?,22+/m0/s1
InChIKey DUXIUEVNIMGKMH-RPHMUWNLSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mYilQhIRwp
Name 9-ALPHA-HYDROXYCANRENONE;9-ALPHA,17-BETA-DIHYDROXY-3-OXO-4,6-ANDROSTADIENE-17-ALPHA-PROPIONIC-ACID-GAMMA-LACTONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-19-8-5-15(23)13-14(19)3-4-17-16-6-9-21(10-7-18(24)26-21)20(16,2)11-12-22(17,19)25/h3-4,13,16-17,25H,5-12H2,1-2H3/t16-,17-,19-,20-,21?,22+/m0/s1
InChIKey DUXIUEVNIMGKMH-RPHMUWNLSA-N
Literature Reference Author C.L.PREISIG,J.A.LAAKSO,E.M.MOCEK,P.T.WANG,J.BAEZ,G.BYNG
Literature Reference Citation J.NAT.PROD.,66,350(2003)
Literature Reference DOI 10.1021/np020347a
Molecular Weight 356.462 g/mol
Solvent CDCl3
Source File Reference UWSI4608