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25-BETA-HYDROXYVERAZINE;(3S,20S,25R)-22,26-IMINOCHOLESTA-5,22(N)-DIEN-3,25-DIOL
SpectraBase Compound ID E2NyTP5xNXS
InChI InChI=1S/C27H43NO2/c1-17(24-11-12-25(2,30)16-28-24)21-7-8-22-20-6-5-18-15-19(29)9-13-26(18,3)23(20)10-14-27(21,22)4/h5,17,19-23,29-30H,6-16H2,1-4H3/t17-,19-,20-,21+,22-,23-,25+,26-,27+/m0/s1
InChIKey YCTLKNVWQFQYLE-RRKPGTBZSA-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 Hg9PPtgN6q6
Name 25-BETA-HYDROXYVERAZINE;(3S,20S,25R)-22,26-IMINOCHOLESTA-5,22(N)-DIEN-3,25-DIOL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-17(24-11-12-25(2,30)16-28-24)21-7-8-22-20-6-5-18-15-19(29)9-13-26(18,3)23(20)10-14-27(21,22)4/h5,17,19-23,29-30H,6-16H2,1-4H3/t17-,19-,20-,21+,22-,23-,25+,26-,27+/m0/s1
InChIKey YCTLKNVWQFQYLE-RRKPGTBZSA-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 UWCP3939