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METHYL-3-ALPHA,6-BETA,7-ALPHA,12-ALPHA-TETRAHYDROXY-5-BETA-CHOLANOATE
SpectraBase Compound ID CBRXIZUtcfd
InChI InChI=1S/C25H42O6/c1-13(5-8-20(28)31-4)15-6-7-16-21-17(12-19(27)25(15,16)3)24(2)10-9-14(26)11-18(24)22(29)23(21)30/h13-19,21-23,26-27,29-30H,5-12H2,1-4H3/t13?,14-,15-,16+,17+,18+,19+,21+,22+,23+,24-,25-/m1/s1
InChIKey SYHUKNSTHJICMX-XRZVOZECSA-N
Mol Weight 438.6 g/mol
Molecular Formula C25H42O6
Exact Mass 438.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LceB7aSbTQM
Name METHYL-3-ALPHA,6-BETA,7-ALPHA,12-ALPHA-TETRAHYDROXY-5-BETA-CHOLANOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42O6
InChI InChI=1S/C25H42O6/c1-13(5-8-20(28)31-4)15-6-7-16-21-17(12-19(27)25(15,16)3)24(2)10-9-14(26)11-18(24)22(29)23(21)30/h13-19,21-23,26-27,29-30H,5-12H2,1-4H3/t13?,14-,15-,16+,17+,18+,19+,21+,22+,23+,24-,25-/m1/s1
InChIKey SYHUKNSTHJICMX-XRZVOZECSA-N
Literature Reference Author T.IIDA,F.C.CHANG,K.MUSHIAKE,J.GOTO,T.NAMBARA
Literature Reference Citation MAGN.RES.CHEM.,31,645(1993)
Literature Reference DOI 10.1002/mrc.1260310708
Molecular Weight 438.605 g/mol
Solvent CDCl3
Source File Reference UWSK407