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12.alpha.-Hydroxy-5.alpha.-pregnane, methoxyacetate (ester)

View entire compound with spectra: 1 NMR, and 1 FTIR

12.alpha.-Hydroxy-5.alpha.-pregnane, methoxyacetate (ester)
SpectraBase Compound ID L1xOXV0sn1B
InChI InChI=1S/C24H40O3/c1-5-16-10-12-19-18-11-9-17-8-6-7-13-23(17,2)20(18)14-21(24(16,19)3)27-22(25)15-26-4/h16-21H,5-15H2,1-4H3
InChIKey JHECTGPTWGFKKK-UHFFFAOYSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtS8VNo9EjA
Name 12.alpha.-Hydroxy-5.alpha.-pregnane, methoxyacetate (ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.297745145 u
Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-5-16-10-12-19-18-11-9-17-8-6-7-13-23(17,2)20(18)14-21(24(16,19)3)27-22(25)15-26-4/h16-21H,5-15H2,1-4H3
InChIKey JHECTGPTWGFKKK-UHFFFAOYSA-N
Molecular Weight 376.581 g/mol
SMILES C1CC2C(CC1)(C1C(CC2)C2C(C(C1)OC(=O)COC)(C(CC)CC2)C)C