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METHYL-3,7-DIOXO-5-BETA-CHOLAN-24-OATE

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METHYL-3,7-DIOXO-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID AG6rIRXMLnf
InChI InChI=1S/C25H38O4/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/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,23+,24+,25-/m1/s1
InChIKey UZRRNRRCPZZPNY-AEVHJRAPSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6R25pg07Ima
Name METHYL-3,7-DIOXO-5-BETA-CHOLAN-24-OATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/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/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,23+,24+,25-/m1/s1
InChIKey UZRRNRRCPZZPNY-AEVHJRAPSA-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 402.574 g/mol
Solvent CDCl3
Source File Reference UWGE150