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3.alpha.-Hydroxy-21-methoxy-5.beta.-pregnan-20-one-benzoate
SpectraBase Compound ID 1V6kpNUm9wU
InChI InChI=1S/C29H40O4/c1-28-15-13-21(33-27(31)19-7-5-4-6-8-19)17-20(28)9-10-22-23-11-12-25(26(30)18-32-3)29(23,2)16-14-24(22)28/h4-8,20-25H,9-18H2,1-3H3
InChIKey CNVOXXLNMWMOBE-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mTQU2NIiQZ
Name 3.alpha.-Hydroxy-21-methoxy-5.beta.-pregnan-20-one-benzoate
CAS Registry Number 83862-50-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-28-15-13-21(33-27(31)19-7-5-4-6-8-19)17-20(28)9-10-22-23-11-12-25(26(30)18-32-3)29(23,2)16-14-24(22)28/h4-8,20-25H,9-18H2,1-3H3
InChIKey CNVOXXLNMWMOBE-UHFFFAOYSA-N
Literature Reference J. Org. Chem. 48, 34 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3