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5,19-Cycloandrostan-3-one, 17-(benzoyloxy)-, (17.beta.)-
SpectraBase Compound ID HVguLBou98a
InChI InChI=1S/C26H32O3/c1-24-12-11-21-19(10-13-25-15-18(27)9-14-26(21,25)16-25)20(24)7-8-22(24)29-23(28)17-5-3-2-4-6-17/h2-6,19-22H,7-16H2,1H3/t19-,20-,21-,22-,24-,25?,26+/m0/s1
InChIKey LPMOGOFDMNWGIM-JBDDTATISA-N
Mol Weight 392.5 g/mol
Molecular Formula C26H32O3
Exact Mass 392.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwkJlXRmnQg
Name 5,19-Cycloandrostan-3-one, 17-(benzoyloxy)-, (17.beta.)-
Comments Computed using HOSE algorithm
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Exact Mass 392.235144887 u
Formula C26H32O3
InChI InChI=1S/C26H32O3/c1-24-12-11-21-19(10-13-25-15-18(27)9-14-26(21,25)16-25)20(24)7-8-22(24)29-23(28)17-5-3-2-4-6-17/h2-6,19-22H,7-16H2,1H3/t19-,20-,21-,22-,24-,25?,26+/m0/s1
InChIKey LPMOGOFDMNWGIM-JBDDTATISA-N
Molecular Weight 392.539 g/mol
SMILES [C@]123C(CC(CC3)=O)(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)(OC(=O)C1=CC=CC=C1)[H])[H])[H])C2