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20-EPI-4-BETA-HYDROXYVERAZINE;(3S,4R,20R,25S)-22,26-IMINOCHOLESTA-5,22(N)-DIEN-3,4-DIOL
SpectraBase Compound ID 3ejQOQBI3Jc
InChI InChI=1S/C27H43NO2/c1-16-5-10-23(28-15-16)17(2)19-8-9-20-18-6-7-22-25(30)24(29)12-14-27(22,4)21(18)11-13-26(19,20)3/h7,16-21,24-25,29-30H,5-6,8-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,24+,25-,26-,27-/m1/s1
InChIKey BLVNKXGGFFUMSS-IGCLPTBQSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPiK18qCUe5
Name 20-EPI-4-BETA-HYDROXYVERAZINE;(3S,4R,20R,25S)-22,26-IMINOCHOLESTA-5,22(N)-DIEN-3,4-DIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-16-5-10-23(28-15-16)17(2)19-8-9-20-18-6-7-22-25(30)24(29)12-14-27(22,4)21(18)11-13-26(19,20)3/h7,16-21,24-25,29-30H,5-6,8-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,24+,25-,26-,27-/m1/s1
InChIKey BLVNKXGGFFUMSS-IGCLPTBQSA-N
Literature Reference Author M.S.ABDEL-KADER,B.D.BAHLER,S.MALONE,M.C.M.WERKHOVEN,F.VANTRO ON,D.J.H.WISSE,I.BUR
Literature Reference Citation J.NAT.PROD.,61,1202(1998)
Literature Reference DOI 10.1021/np970561c
Molecular Weight 413.644 g/mol
Solvent CDCl3
Source File Reference UWCP3936