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(5E)-1.alpha.-Hydroxyvitamin D2 3-tert-Butyldiphenylsilyl Ether
SpectraBase Compound ID C3jeToTv4bW
InChI InChI=1S/C44H62O2Si/c1-31(2)32(3)22-23-33(4)40-26-27-41-35(17-16-28-44(40,41)9)24-25-36-29-37(30-42(45)34(36)5)46-47(43(6,7)8,38-18-12-10-13-19-38)39-20-14-11-15-21-39/h10-15,18-25,31-33,37,40-42,45H,5,16-17,26-30H2,1-4,6-9H3/b23-22+,35-24+,36-25+/t32-,33+,37+,40?,41?,42-,44?/m0/s1
InChIKey CDXRGZVLWPKNIL-RSIHTCIGSA-N
Mol Weight 651.1 g/mol
Molecular Formula C44H62O2Si
Exact Mass 650.451908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7f53IHTtO5
Name (5E)-1.alpha.-Hydroxyvitamin D2 3-tert-Butyldiphenylsilyl Ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62O2Si
InChI InChI=1S/C44H62O2Si/c1-31(2)32(3)22-23-33(4)40-26-27-41-35(17-16-28-44(40,41)9)24-25-36-29-37(30-42(45)34(36)5)46-47(43(6,7)8,38-18-12-10-13-19-38)39-20-14-11-15-21-39/h10-15,18-25,31-33,37,40-42,45H,5,16-17,26-30H2,1-4,6-9H3/b23-22+,35-24+,36-25+/t32-,33+,37+,40?,41?,42-,44?/m0/s1
InChIKey CDXRGZVLWPKNIL-RSIHTCIGSA-N
Molecular Weight 651.063 g/mol
SMILES O[C@@]1(C(\C(=C\C=C\2C3C(C(CC3)[C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])(CCC2)C)C[C@@](O[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(C1)[H])=C)[H]
SPLASH splash10-0002-0904022000-4d982913bd32d40b62f1
Source of Spectrum E2-49-315-5
Wiley ID 1555651