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DEOXYCHOLIC-ACID;3-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID
SpectraBase Compound ID EfAG8RBH0dO
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14?,15-,16-,17?,18?,19?,20?,21+,23?,24?/m1/s1
InChIKey KXGVEGMKQFWNSR-KFIKOHBJSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COIpD3VQgWq
Name DEOXYCHOLIC-ACID;3-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14?,15-,16-,17?,18?,19?,20?,21+,23?,24?/m1/s1
InChIKey KXGVEGMKQFWNSR-KFIKOHBJSA-N
Literature Reference Author G.R.PETTIT,J.C.KNIGHT,D.L.HERALD,R.DAVENPORT,R.K.PETTIT,B.E. TUCKER,J.M.SCHMIDT
Literature Reference Citation J.NAT.PROD.,65,1793(2002)
Literature Reference DOI 10.1021/np020173x
Molecular Weight 392.579 g/mol
Solvent CDCl3
Source File Reference UWSI16422