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2-ALPHA-METHYL-20-S,23-R-EPOXYMETHANO-1-ALPHA,25-DIHYDROXYVITAMIN_D_3

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2-ALPHA-METHYL-20-S,23-R-EPOXYMETHANO-1-ALPHA,25-DIHYDROXYVITAMIN_D_3
SpectraBase Compound ID BSRnS3IrYDI
InChI InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10+/t19-,20+,23-,24+,25-,26+,28-,29+/m0/s1
InChIKey CDTXSCLKUNDXBZ-ZXJKASNFSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gex5RY6brqE
Name 2-ALPHA-METHYL-20-S,23-R-EPOXYMETHANO-1-ALPHA,25-DIHYDROXYVITAMIN_D_3
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-18-22(14-24(30)19(2)26(18)31)10-9-21-8-7-13-28(5)23(21)11-12-25(28)29(6)16-20(17-33-29)15-27(3,4)32/h9-10,19-20,23-26,30-32H,1,7-8,11-17H2,2-6H3/b21-9+,22-10+/t19-,20+,23-,24+,25-,26+,28-,29+/m0/s1
InChIKey CDTXSCLKUNDXBZ-ZXJKASNFSA-N
Literature Reference Author P.ANTONY,R.SIGUEEIRO,T.HUET,Y.SATO,N.RAMALANJAONA,L.C.RODRIG UES,A.MOURINO,D.MORA
Literature Reference Citation J.MED.CHEM.,53,1159(2010)
Literature Reference DOI 10.1021/jm9014636
Molecular Weight 458.682 g/mol
Solvent CDCl3
Source File Reference UWMZ46268