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1-ALPHA,20,23-TRIHYDROXY-VITAMIN-D3;[1,20,23(OH)3D3]

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1-ALPHA,20,23-TRIHYDROXY-VITAMIN-D3;[1,20,23(OH)3D3]
SpectraBase Compound ID 4snPtBQmrpr
InChI InChI=1S/C27H44O4/c1-17(2)13-22(29)16-27(5,31)25-11-10-23-19(7-6-12-26(23,25)4)8-9-20-14-21(28)15-24(30)18(20)3/h8-9,17,21-25,28-31H,3,6-7,10-16H2,1-2,4-5H3/b19-8+,20-9-/t21-,22?,23-,24-,25-,26-,27-/m0/s1
InChIKey ZMDIGTZBNFTKRP-GOTLPRRFSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZBCfN5bus5
Name 1-ALPHA,20,23-TRIHYDROXY-VITAMIN-D3;[1,20,23(OH)3D3]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-17(2)13-22(29)16-27(5,31)25-11-10-23-19(7-6-12-26(23,25)4)8-9-20-14-21(28)15-24(30)18(20)3/h8-9,17,21-25,28-31H,3,6-7,10-16H2,1-2,4-5H3/b19-8+,20-9-/t21-,22?,23-,24-,25-,26-,27-/m0/s1
InChIKey ZMDIGTZBNFTKRP-GOTLPRRFSA-N
Literature Reference Author E.K.Y.TANG,W.LI,Z.JANJETOVIC,M.N.NGUYEN,Z.WANG,A.SLOMINSKI,R .C.TUCKEY
Literature Reference Citation DRUG.MET.DISP.,38,1553(2010)
Literature Reference DOI 10.1124/dmd.110.034389
Molecular Weight 432.644 g/mol
Source File Reference UWLU74037