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N-CHLORODIHYDRO-25-ISOVERAZINE-A=(22S,25R)-22,26-CHLORO-EPIMINO-CHOLEST-5-EN-3-BETA-OL
SpectraBase Compound ID 2sIejcwkvfR
InChI InChI=1S/C27H44ClNO/c1-17-5-10-25(29(28)16-17)18(2)22-8-9-23-21-7-6-19-15-20(30)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,30H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey OPPHOMXPHXBPTI-BXTYSGRPSA-N
Mol Weight 434.1 g/mol
Molecular Formula C27H44ClNO
Exact Mass 433.311143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vFA9jUN1xL
Name N-CHLORODIHYDRO-25-ISOVERAZINE-A=(22S,25R)-22,26-CHLORO-EPIMINO-CHOLEST-5-EN-3-BETA-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44ClNO
InChI InChI=1S/C27H44ClNO/c1-17-5-10-25(29(28)16-17)18(2)22-8-9-23-21-7-6-19-15-20(30)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,30H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey OPPHOMXPHXBPTI-BXTYSGRPSA-N
Literature Reference Author G.J.BIRD,D.J.COLLINS,F.W.EASTWOOD,R.H.EXNER
Literature Reference Citation AUSTR.J.CHEM.,32,797(1979)
Literature Reference DOI 10.1071/ch9790797
Molecular Weight 434.105 g/mol
Solvent CDCl3
Source File Reference UNIW17290