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Androsta-4,6-diene-17,19-diol-3-one, diacetate
SpectraBase Compound ID KLbjlkBUVhY
InChI InChI=1S/C23H30O5/c1-14(24)27-13-23-11-8-17(26)12-16(23)4-5-18-19-6-7-21(28-15(2)25)22(19,3)10-9-20(18)23/h4-5,12,18-21H,6-11,13H2,1-3H3
InChIKey UAKXNGMVLKQQQI-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H30O5
Exact Mass 386.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TZmpaAzDJm
Name Androsta-4,6-diene-17,19-diol-3-one, diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.209324061 u
Formula C23H30O5
InChI InChI=1S/C23H30O5/c1-14(24)27-13-23-11-8-17(26)12-16(23)4-5-18-19-6-7-21(28-15(2)25)22(19,3)10-9-20(18)23/h4-5,12,18-21H,6-11,13H2,1-3H3
InChIKey UAKXNGMVLKQQQI-UHFFFAOYSA-N
Molecular Weight 386.488 g/mol
SMILES C1(=O)C=C2C=CC3C4C(C)(C(OC(=O)C)CC4)CCC3C2(COC(C)=O)CC1