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Androsta-1,4-dien-3-one, 6.beta.,17.beta.-dihydroxy-, 17-acetate

View entire compound with spectra: 1 NMR

Androsta-1,4-dien-3-one, 6.beta.,17.beta.-dihydroxy-, 17-acetate
SpectraBase Compound ID I4gifcweFdP
InChI InChI=1S/C21H28O4/c1-12(22)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h6,8,10,14-16,18-19,24H,4-5,7,9,11H2,1-3H3
InChIKey HCARMMGPEIJVSH-UHFFFAOYSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1rxzb7p2cc
Name Androsta-1,4-dien-3-one, 6.beta.,17.beta.-dihydroxy-, 17-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.198759378 u
Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-12(22)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h6,8,10,14-16,18-19,24H,4-5,7,9,11H2,1-3H3
InChIKey HCARMMGPEIJVSH-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C=1C(=O)C=C2C(C1)(C1CCC3(C(C1CC2O)CCC3OC(=O)C)C)C