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1.alpha.,25-Dihydroxy-1.beta.-methylvitamin D3
SpectraBase Compound ID Jimz9UBBCt
InChI InChI=1S/C28H46O3/c1-19(9-7-15-26(3,4)30)24-13-14-25-21(10-8-16-27(24,25)5)11-12-22-17-23(29)18-28(6,31)20(22)2/h11-12,19,23-25,29-31H,2,7-10,13-18H2,1,3-6H3/b21-11+,22-12-/t19-,23-,24-,25?,27-,28-/m1/s1
InChIKey QDNHALZCHBKBJU-KGIMMCTQSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pQa7vM7G4
Name 1.alpha.,25-Dihydroxy-1.beta.-methylvitamin D3
Alternate Name(s) (1R,3R,5Z,7E)-1-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-19(9-7-15-26(3,4)30)24-13-14-25-21(10-8-16-27(24,25)5)11-12-22-17-23(29)18-28(6,31)20(22)2/h11-12,19,23-25,29-31H,2,7-10,13-18H2,1,3-6H3/b21-11+,22-12-/t19-,23-,24-,25?,27-,28-/m1/s1
InChIKey QDNHALZCHBKBJU-KGIMMCTQSA-N
Molecular Weight 430.673 g/mol
SMILES O[C@@]1(C[C@@](C\C(C1=C)=C/C=C/1C2[C@@]([C@](CC2)([C@@](CCCC(O)(C)C)(C)[H])[H])(CCC1)C)(O)[H])C
SPLASH splash10-0ldi-0901100000-1f1e61f9d663e9027549
Source of Spectrum J-60-1833-1
Wiley ID 1381789