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2.alpha.-Ethyl-3-t-butyldiphenylsilyloxy-1.alpha.,25-dihydroxy-19-norvitamin D3
SpectraBase Compound ID 7XAY8K03RHQ
InChI InChI=1S/C44H66O3Si/c1-9-37-40(45)30-33(24-25-34-19-17-29-44(8)38(26-27-39(34)44)32(2)18-16-28-43(6,7)46)31-41(37)47-48(42(3,4)5,35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-15,20-25,32,37-41,45-46H,9,16-19,26-31H2,1-8H3/b33-24+,34-25+/t32-,37-,38-,39+,40-,41-,44-/m1/s1
InChIKey KQFQKZXDSJHKFV-XKRXRZJLSA-N
Mol Weight 671.1 g/mol
Molecular Formula C44H66O3Si
Exact Mass 670.478123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvH8L6XowoO
Name 2.alpha.-Ethyl-3-t-butyldiphenylsilyloxy-1.alpha.,25-dihydroxy-19-norvitamin D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H66O3Si
InChI InChI=1S/C44H66O3Si/c1-9-37-40(45)30-33(24-25-34-19-17-29-44(8)38(26-27-39(34)44)32(2)18-16-28-43(6,7)46)31-41(37)47-48(42(3,4)5,35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-15,20-25,32,37-41,45-46H,9,16-19,26-31H2,1-8H3/b33-24+,34-25+/t32-,37-,38-,39+,40-,41-,44-/m1/s1
InChIKey KQFQKZXDSJHKFV-XKRXRZJLSA-N
Molecular Weight 671.094 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])(CC)[H])[H]
SPLASH splash10-000b-0900000000-838557486cac26ee7588
Source of Spectrum QE-19-173-24
Wiley ID 1584972