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Androst-4-ene-16.alpha.,17.beta.-diol-3-one(3-o-methyloxime-16.alpha.,17.beta.-di-trimethylsilyl ether)
SpectraBase Compound ID 6cX2MEj1xg7
InChI InChI=1S/C24H35NO5/c1-14(26)29-21-13-20-18-7-6-16-12-17(25-28-5)8-10-23(16,3)19(18)9-11-24(20,4)22(21)30-15(2)27/h12,18-22H,6-11,13H2,1-5H3/b25-17-
InChIKey MQLUMOPUEPNBIQ-UQQQWYQISA-N
Mol Weight 417.5 g/mol
Molecular Formula C24H35NO5
Exact Mass 417.251523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZI9OLf2Cmv
Name Androst-4-ene-16.alpha.,17.beta.-diol-3-one(3-o-methyloxime-16.alpha.,17.beta.-di-trimethylsilyl ether)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.251523226 u
Formula C24H35NO5
InChI InChI=1S/C24H35NO5/c1-14(26)29-21-13-20-18-7-6-16-12-17(25-28-5)8-10-23(16,3)19(18)9-11-24(20,4)22(21)30-15(2)27/h12,18-22H,6-11,13H2,1-5H3/b25-17-
InChIKey MQLUMOPUEPNBIQ-UQQQWYQISA-N
Molecular Weight 417.546 g/mol
SMILES C12(C(C3CCC=4C(C3CC2)(CC\C(=N\OC)C4)C)CC(C1OC(=O)C)OC(=O)C)C