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6-BETA-HYDROXYMEXRENONE;6-BETA,17-DIHYDROXY-3-OXO-17-ALPHA-PREGN-4-ENE-7-ALPHA,21-DICARBOXYLIC-ACID-7-METHYLESTER-GAMMA-LACTONE

View entire compound with spectra: 1 NMR

6-BETA-HYDROXYMEXRENONE;6-BETA,17-DIHYDROXY-3-OXO-17-ALPHA-PREGN-4-ENE-7-ALPHA,21-DICARBOXYLIC-ACID-7-METHYLESTER-GAMMA-LACTONE
SpectraBase Compound ID 3arQNLHjITa
InChI InChI=1S/C24H32O6/c1-22-8-4-13(25)12-16(22)20(27)19(21(28)29-3)18-14(22)5-9-23(2)15(18)6-10-24(23)11-7-17(26)30-24/h12,14-15,18-20,27H,4-11H2,1-3H3/t14-,15-,18+,19-,20-,22+,23-,24?/m0/s1
InChIKey JJQPSVJBOAAERP-UIORLCNLSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UbDJXcdvGb
Name 6-BETA-HYDROXYMEXRENONE;6-BETA,17-DIHYDROXY-3-OXO-17-ALPHA-PREGN-4-ENE-7-ALPHA,21-DICARBOXYLIC-ACID-7-METHYLESTER-GAMMA-LACTONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-22-8-4-13(25)12-16(22)20(27)19(21(28)29-3)18-14(22)5-9-23(2)15(18)6-10-24(23)11-7-17(26)30-24/h12,14-15,18-20,27H,4-11H2,1-3H3/t14-,15-,18+,19-,20-,22+,23-,24?/m0/s1
InChIKey JJQPSVJBOAAERP-UIORLCNLSA-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 416.514 g/mol
Solvent CDCl3
Source File Reference UWSI4609