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VITAMIN-D3-PARA-NITROBENZOATE-ESTER
SpectraBase Compound ID 9Bfh2YYngY
InChI InChI=1S/C34H47NO4/c1-23(2)8-6-9-25(4)31-19-20-32-26(10-7-21-34(31,32)5)12-13-28-22-30(18-11-24(28)3)39-33(36)27-14-16-29(17-15-27)35(37)38/h12-17,23,25,30-32H,3,6-11,18-22H2,1-2,4-5H3/b26-12+,28-13-/t25-,30+,31-,32?,34-/m1/s1
InChIKey RUYFLIRJKYFJGC-TZGQVTEVSA-N
Mol Weight 533.8 g/mol
Molecular Formula C34H47NO4
Exact Mass 533.350509 g/mol
Enantiomer InChIKey RUYFLIRJKYFJGC-HBBQHMGSSA-N
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BS-5-169-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BS-5-170-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum BS-5-172-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • O-(p-Nitrobenzoyl)-epi-trans-vitamin D[3]
Title Journal or Book Year
Conformational analysis of vitamin D and analogs. 1. Carbon-13 and proton nuclear magnetic resonance study The Journal of Organic Chemistry 1977

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