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20-(17->18)-ABEO-1-ALPHA,25-DIHYDROXY-22-HOMO-21-NORVITAMIN-D3
SpectraBase Compound ID 5QOWekb8dnn
InChI InChI=1S/C27H44O3/c1-20-22(18-23(28)19-25(20)29)13-12-21-10-8-16-27(17-9-11-24(21)27)15-7-5-4-6-14-26(2,3)30/h12-13,23-25,28-30H,1,4-11,14-19H2,2-3H3/b21-12+,22-13-/t23-,24+,25+,27-/m1/s1
InChIKey FJGYNKGWOKETAA-AXVRRUDCSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qz7nJR846j
Name 20-(17->18)-ABEO-1-ALPHA,25-DIHYDROXY-22-HOMO-21-NORVITAMIN-D3
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-20-22(18-23(28)19-25(20)29)13-12-21-10-8-16-27(17-9-11-24(21)27)15-7-5-4-6-14-26(2,3)30/h12-13,23-25,28-30H,1,4-11,14-19H2,2-3H3/b21-12+,22-13-/t23-,24+,25+,27-/m1/s1
InChIKey FJGYNKGWOKETAA-AXVRRUDCSA-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 416.645 g/mol
Solvent CDCl3
Source File Reference UWVN21988