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20-(17->18)-ABEO-1-ALPHA,25-DIHYDROXY-21-NORVITAMIN-D3
SpectraBase Compound ID 7IKStti7RHJ
InChI InChI=1S/C26H42O3/c1-19-21(17-22(27)18-24(19)28)12-11-20-9-7-15-26(16-8-10-23(20)26)14-6-4-5-13-25(2,3)29/h11-12,22-24,27-29H,1,4-10,13-18H2,2-3H3/b20-11+,21-12-/t22-,23+,24+,26-/m1/s1
InChIKey CQKNAFDQWOTRGQ-CZNPMDIKSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiPp00RH1tj
Name 20-(17->18)-ABEO-1-ALPHA,25-DIHYDROXY-21-NORVITAMIN-D3
Compound Number 2A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-19-21(17-22(27)18-24(19)28)12-11-20-9-7-15-26(16-8-10-23(20)26)14-6-4-5-13-25(2,3)29/h11-12,22-24,27-29H,1,4-10,13-18H2,2-3H3/b20-11+,21-12-/t22-,23+,24+,26-/m1/s1
InChIKey CQKNAFDQWOTRGQ-CZNPMDIKSA-N
Literature Reference Author E.MOMAN,D.NICOLETTI,A.MOURINO
Literature Reference Citation J.ORG.CHEM.,69,4615(2004)
Literature Reference DOI 10.1021/jo0498664
Molecular Weight 402.618 g/mol
Solvent CD2Cl2
Source File Reference UWVN21981