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Androstan-19-al, 17-acetoxy-4,4-dimethyl-3-methoxy-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Androstan-19-al, 17-acetoxy-4,4-dimethyl-3-methoxy-
SpectraBase Compound ID 3uqo14YPpPM
InChI InChI=1S/C24H38O4/c1-15(26)28-21-9-7-17-16-6-8-19-22(2,3)20(27-5)11-13-24(19,14-25)18(16)10-12-23(17,21)4/h14,16-21H,6-13H2,1-5H3
InChIKey NLMSZFFYNLIITR-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49cazHA0yEP
Name Androstan-19-al, 17-acetoxy-4,4-dimethyl-3-methoxy-
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-15(26)28-21-9-7-17-16-6-8-19-22(2,3)20(27-5)11-13-24(19,14-25)18(16)10-12-23(17,21)4/h14,16-21H,6-13H2,1-5H3
InChIKey NLMSZFFYNLIITR-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES CC1(C)C(OC)CCC2(C1CCC1C3C(C)(C(OC(=O)C)CC3)CCC21)C=O