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2.beta.-Methyl-19-nor-1.alpha.,25-dihydroxyvitamin D3 - 3-[(t-butyl)diphenylsilyl] - derivative
SpectraBase Compound ID IHrlZ0i00oI
InChI InChI=1S/C43H64O3Si/c1-31(17-15-27-42(6,7)45)37-25-26-38-34(18-16-28-43(37,38)8)24-23-33-29-39(44)32(2)40(30-33)46-47(41(3,4)5,35-19-11-9-12-20-35)36-21-13-10-14-22-36/h9-14,19-24,31-32,37-40,44-45H,15-18,25-30H2,1-8H3/b33-23-,34-24+/t31-,32-,37-,38+,39-,40-,43-/m1/s1
InChIKey KWEZCJCEHPIMLK-RAMMYHIXSA-N
Mol Weight 657.1 g/mol
Molecular Formula C43H64O3Si
Exact Mass 656.462472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID b924SztexI
Name 2.beta.-Methyl-19-nor-1.alpha.,25-dihydroxyvitamin D3 - 3-[(t-butyl)diphenylsilyl] - derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H64O3Si
InChI InChI=1S/C43H64O3Si/c1-31(17-15-27-42(6,7)45)37-25-26-38-34(18-16-28-43(37,38)8)24-23-33-29-39(44)32(2)40(30-33)46-47(41(3,4)5,35-19-11-9-12-20-35)36-21-13-10-14-22-36/h9-14,19-24,31-32,37-40,44-45H,15-18,25-30H2,1-8H3/b33-23-,34-24+/t31-,32-,37-,38+,39-,40-,43-/m1/s1
InChIKey KWEZCJCEHPIMLK-RAMMYHIXSA-N
Molecular Weight 657.067 g/mol
SMILES O[C@]1([C@]([C@@](C\C(=C/C=C/2[C@]3([C@@]([C@@]([C@@](CCCC(O)(C)C)(C)[H])(CC3)[H])(CCC2)C)[H])C1)(O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)[H])(C)[H])[H]
SPLASH splash10-052k-4900000000-1ca25ec774a3e588cbf7
Source of Spectrum H-2005-4424-74
Synonyms (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-cyclohexanol (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclohexan-1-ol (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-cyclohexan-1-ol
Wiley ID 1587894