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2.beta.-Methyl-19-nor-23-yne-1.alpha.,25-dihydroxyvitamin D3
SpectraBase Compound ID DL9mV6A02kh
InChI InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,7-9,12-13,15-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23+,24-,25-,27-/m1/s1
InChIKey UEPGSWQIGXDLKR-UZFYCILOSA-N
Mol Weight 414.6 g/mol
Molecular Formula C27H42O3
Exact Mass 414.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bgejZ8sd8a
Name 2.beta.-Methyl-19-nor-23-yne-1.alpha.,25-dihydroxyvitamin D3
Alternate Name(s) 3,14-bis(epi)-2.alpha.-Methyl-19-nor-23-yne-1.alpha.,25-dihydroxyvitamin D3 2.alpha.-Methyl-19-nor-23-yne-1.alpha.,25-dihydroxyvitamin D3 1,14-bis(epi)-2.alpha.-Methyl-19-nor-23-yne-1.alpha.,25-dihydroxyvitamin D3
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Formula C27H42O3
InChI InChI=1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,7-9,12-13,15-17H2,1-5H3/b20-10-,21-11+/t18-,19?,22-,23+,24-,25-,27-/m1/s1
InChIKey UEPGSWQIGXDLKR-UZFYCILOSA-N
Molecular Weight 414.630 g/mol
SMILES O[C@]1(C([C@@](CC(C1)=C\C=C\1[C@]2([C@@]([C@](CC2)([C@@](CC#CC(O)(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])C)[H]
SPLASH splash10-0006-9321000000-e2037944348837a018ae
Source of Spectrum H-2005-4426-1
Wiley ID 1587878