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17.beta.-Benzoyloxyandrosta-4,6-dien-3-one

View entire compound with spectra: 1 NMR

17.beta.-Benzoyloxyandrosta-4,6-dien-3-one
SpectraBase Compound ID FHDIGNpqTlS
InChI InChI=1S/C26H30O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-9,16,20-23H,10-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKey XSQNDTSGPSKARJ-IXKNJLPQSA-N
Mol Weight 390.52 g/mol
Molecular Formula C26H30O3
Exact Mass 390.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6letKaJgeE
Name 17.beta.-Benzoyloxyandrosta-4,6-dien-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.219494823 u
Formula C26H30O3
InChI InChI=1S/C26H30O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-9,16,20-23H,10-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKey XSQNDTSGPSKARJ-IXKNJLPQSA-N
Molecular Weight 390.523 g/mol
SMILES C1(C=C2[C@](CC1)([C@@]1([C@@](C=C2)([C@]2([C@](CC1)([C@@](OC(=O)C1=CC=CC=C1)(CC2)[H])C)[H])[H])[H])C)=O