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N,N-DIMETHYL-3-ACETOXY-12-OXO-7-DEOXY-CHOLIC-AMIDE

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N,N-DIMETHYL-3-ACETOXY-12-OXO-7-DEOXY-CHOLIC-AMIDE
SpectraBase Compound ID 1mxSnHkL8Dw
InChI InChI=1S/C28H45NO4/c1-17(7-12-26(32)29(5)6)22-10-11-23-21-9-8-19-15-20(33-18(2)30)13-14-27(19,3)24(21)16-25(31)28(22,23)4/h17,19-24H,7-16H2,1-6H3/t17-,19-,20+,21+,22-,23+,24+,27+,28-/m1/s1
InChIKey OKZAFRCBACGCON-JJEBGBSFSA-N
Mol Weight 459.7 g/mol
Molecular Formula C28H45NO4
Exact Mass 459.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JElDnKIDmlp
Name N,N-DIMETHYL-3-ACETOXY-12-OXO-7-DEOXY-CHOLIC-AMIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H45NO4
InChI InChI=1S/C28H45NO4/c1-17(7-12-26(32)29(5)6)22-10-11-23-21-9-8-19-15-20(33-18(2)30)13-14-27(19,3)24(21)16-25(31)28(22,23)4/h17,19-24H,7-16H2,1-6H3/t17-,19-,20+,21+,22-,23+,24+,27+,28-/m1/s1
InChIKey OKZAFRCBACGCON-JJEBGBSFSA-N
Literature Reference Author Y.HUANG,J.CUI,L.JIA,C.GAN,H.SONG,C.ZENG,A.ZHOU
Literature Reference Citation MOLECULES,18,7436(2013)
Literature Reference DOI 10.3390/molecules18077436
Molecular Weight 459.670 g/mol
Solvent CDCl3
Source File Reference UWIR9016