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Androstan-3,5,7-trien, 17-benzoyloxy-
SpectraBase Compound ID 4GjVFJTMLCp
InChI InChI=1S/C26H30O2/c1-25-16-7-6-10-19(25)11-12-20-21-13-14-23(26(21,2)17-15-22(20)25)28-24(27)18-8-4-3-5-9-18/h3-6,8-12,21-23H,7,13-17H2,1-2H3
InChIKey CMEVULWRXWSLMF-UHFFFAOYSA-N
Mol Weight 374.52 g/mol
Molecular Formula C26H30O2
Exact Mass 374.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bSvn3iqWrL
Name Androstan-3,5,7-trien, 17-benzoyloxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.224580204 u
Formula C26H30O2
InChI InChI=1S/C26H30O2/c1-25-16-7-6-10-19(25)11-12-20-21-13-14-23(26(21,2)17-15-22(20)25)28-24(27)18-8-4-3-5-9-18/h3-6,8-12,21-23H,7,13-17H2,1-2H3
InChIKey CMEVULWRXWSLMF-UHFFFAOYSA-N
Molecular Weight 374.524 g/mol
SMILES C=1CCC2(C(C1)=CC=C1C2CCC2(C1CCC2OC(C1=CC=CC=C1)=O)C)C