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Androsta-1,4-dien-3-one, 16,17-dihydroxy-, (16.alpha.,17.beta.)-, 16-acetate

View entire compound with spectra: 1 NMR

Androsta-1,4-dien-3-one, 16,17-dihydroxy-, (16.alpha.,17.beta.)-, 16-acetate
SpectraBase Compound ID 9OY7fQ7K4Sr
InChI InChI=1S/C21H28O4/c1-12(22)25-18-11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,3)19(18)24/h6,8,10,15-19,24H,4-5,7,9,11H2,1-3H3
InChIKey BTANVVKYDKLPDB-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 1g6AvYIsNp6
Name Androsta-1,4-dien-3-one, 16,17-dihydroxy-, (16.alpha.,17.beta.)-, 16-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)25-18-11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,3)19(18)24/h6,8,10,15-19,24H,4-5,7,9,11H2,1-3H3
InChIKey BTANVVKYDKLPDB-UHFFFAOYSA-N
Molecular Weight 344.451 g/mol
SMILES C=1C(C=C2C(C1)(C1C(CC2)C2C(C(O)C(C2)OC(=O)C)(C)CC1)C)=O