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Dihydrotestosterone 3-formate-17-benzoate

View entire compound with spectra: 1 NMR

Dihydrotestosterone 3-formate-17-benzoate
SpectraBase Compound ID 6yNRwm0zfc7
InChI InChI=1S/C27H34O4/c1-26-14-12-20(30-17-28)16-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)31-25(29)18-6-4-3-5-7-18/h3-7,16-17,20-24H,8-15H2,1-2H3
InChIKey OPQVXIKFBNRIMY-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RdfGt0qNLz
Name Dihydrotestosterone 3-formate-17-benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.245709571 u
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-26-14-12-20(30-17-28)16-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)31-25(29)18-6-4-3-5-7-18/h3-7,16-17,20-24H,8-15H2,1-2H3
InChIKey OPQVXIKFBNRIMY-UHFFFAOYSA-N
Molecular Weight 422.565 g/mol
SMILES C1=CC=CC=C1C(=O)OC1C2(C)CCC3C4(C)CCC(OC=O)C=C4CCC3C2CC1