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2-BETA,3-BETA-DIHYDROXY-6-(E)-HYDROXIMINO-CHOLEST-4-ENE
SpectraBase Compound ID 7oPUaOew3pB
InChI InChI=1S/C27H45NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,24-25,29-31H,6-13,15H2,1-5H3/b28-23+/t17-,18+,19-,20+,21+,24-,25+,26?,27?/m1/s1
InChIKey RXVIHDNLTKWAIL-KUYPUUOFSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBSZBreqeXl
Name 2-BETA,3-BETA-DIHYDROXY-6-(E)-HYDROXIMINO-CHOLEST-4-ENE
Compound Number 20A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44NO3
InChI InChI=1S/C27H45NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,24-25,29-31H,6-13,15H2,1-5H3/b28-23+/t17-,18+,19-,20+,21+,24-,25+,26?,27?/m1/s1
InChIKey RXVIHDNLTKWAIL-KUYPUUOFSA-N
Literature Reference Author N.DEIVE,J.RODRIGUEZ,C.JIMENEZ
Literature Reference Citation J.MED.CHEM.,44,2612(2001)
Literature Reference DOI 10.1021/jm010867n
Molecular Weight 430.651 g/mol
Sample ID 44676
Solvent CDCl3