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METHYL-3,12-DIOXO-5-BETA-CHOLAN-24-OATE

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METHYL-3,12-DIOXO-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID 8NY0XmwtVHV
InChI InChI=1S/C25H38O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-21H,5-14H2,1-4H3/t15-,16-,18+,19-,20+,21+,24+,25-/m1/s1
InChIKey VCWDOHJFKGOMRJ-KTVNVDRLSA-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 FfJFfMw7vit
Name METHYL-3,12-DIOXO-5-BETA-CHOLAN-24-OATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-21H,5-14H2,1-4H3/t15-,16-,18+,19-,20+,21+,24+,25-/m1/s1
InChIKey VCWDOHJFKGOMRJ-KTVNVDRLSA-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 UWGE153