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Estran-3-one, 17-hydroxy-4,4-dimethyl-, (5.alpha.,17.beta.)-

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

Estran-3-one, 17-hydroxy-4,4-dimethyl-, (5.alpha.,17.beta.)-
SpectraBase Compound ID Ed1Rv9Mn5oV
InChI InChI=1S/C20H32O2/c1-19(2)15-6-4-14-12(13(15)5-8-17(19)21)10-11-20(3)16(14)7-9-18(20)22/h12-16,18,22H,4-11H2,1-3H3
InChIKey YGUPBLVLOZFOJV-UHFFFAOYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTdzS1v7hCo
Name Estran-3-one, 17-hydroxy-4,4-dimethyl-, (5.alpha.,17.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-19(2)15-6-4-14-12(13(15)5-8-17(19)21)10-11-20(3)16(14)7-9-18(20)22/h12-16,18,22H,4-11H2,1-3H3
InChIKey YGUPBLVLOZFOJV-UHFFFAOYSA-N
Molecular Weight 304.474 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2)([C@@]2([C@@](CC3)(C(C)(C)C(CC2)=O)[H])[H])[H])[H])(CC[C@@]1(O)[H])[H]