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METHYL-3-ALPHA-HYDROXY-7-OXO-5-BETA-CHOLAN-24-OATE

View entire compound with spectra: 1 NMR

METHYL-3-ALPHA-HYDROXY-7-OXO-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID JGUpbT7UGTZ
InChI InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23+,24+,25-/m1/s1
InChIKey FNBYYFMYNRYPPC-YLOOLPOOSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXmta12BoR4
Name METHYL-3-ALPHA-HYDROXY-7-OXO-5-BETA-CHOLAN-24-OATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23+,24+,25-/m1/s1
InChIKey FNBYYFMYNRYPPC-YLOOLPOOSA-N
Literature Reference Author K.LAPPALAINEN,E.KOLEHMAINEN,M.KAARTINEN,R.KAUPPINEN,R.SEPPAE LAE,V.VATANEN
Literature Reference Citation MAGN.RES.CHEM.,32,786(1994)
Literature Reference DOI 10.1002/mrc.1260321213
Molecular Weight 404.590 g/mol
Solvent CDCl3
Source File Reference UWGE149