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METHYL-3-ALPHA,7-ALPHA,16-BETA-TRIHYDROXY-5-BETA-CHOLAN-24-OATE

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METHYL-3-ALPHA,7-ALPHA,16-BETA-TRIHYDROXY-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID 8Gk15pL0VRu
InChI InChI=1S/C25H42O5/c1-14(5-6-21(29)30-4)23-20(28)13-18-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-20,22-23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20+,22-,23+,24+,25+/m1/s1
InChIKey YIFCKEXOLCYRJK-ZBDIGPHLSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H42O5
Exact Mass 422.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ETYyTeTKWZ
Name METHYL-3-ALPHA,7-ALPHA,16-BETA-TRIHYDROXY-5-BETA-CHOLAN-24-OATE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42O5
InChI InChI=1S/C25H42O5/c1-14(5-6-21(29)30-4)23-20(28)13-18-22-17(8-10-25(18,23)3)24(2)9-7-16(26)11-15(24)12-19(22)27/h14-20,22-23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20+,22-,23+,24+,25+/m1/s1
InChIKey YIFCKEXOLCYRJK-ZBDIGPHLSA-N
Literature Reference Author T.IIDA,M.HIKOSAKA,G.KAKIYAMA,K.SHIRAISHI,C.D.SCHTEINGART,L.R .HAGEY,H.T.TON-NU,A.
Literature Reference Citation CHEM.PHARM.BULL.,50,1327(2002)
Literature Reference DOI 10.1248/cpb.50.1327
Molecular Weight 422.605 g/mol
Solvent Unknown
Source File Reference UWMS20071