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1.alpha.,2.alpha.,25-Trihydroxy-19-nor-vitamin D3
SpectraBase Compound ID 5kWk9b0iB44
InChI InChI=1S/C26H44O4/c1-17(7-5-13-25(2,3)30)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24(29)23(28)16-18/h9-10,17,20-24,27-30H,5-8,11-16H2,1-4H3/b18-9-,19-10+/t17-,20-,21+,22-,23-,24+,26-/m1/s1
InChIKey CAGYDFRJDSWOLS-YUAOTPKASA-N
Mol Weight 420.6 g/mol
Molecular Formula C26H44O4
Exact Mass 420.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoQCpt6YXRJ
Name 1.alpha.,2.alpha.,25-Trihydroxy-19-nor-vitamin D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O4
InChI InChI=1S/C26H44O4/c1-17(7-5-13-25(2,3)30)20-11-12-21-19(8-6-14-26(20,21)4)10-9-18-15-22(27)24(29)23(28)16-18/h9-10,17,20-24,27-30H,5-8,11-16H2,1-4H3/b18-9-,19-10+/t17-,20-,21+,22-,23-,24+,26-/m1/s1
InChIKey CAGYDFRJDSWOLS-YUAOTPKASA-N
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/jm900711d
Molecular Weight 420.634 g/mol
Reported Formula C26H44O4
SMILES O[C@@]1(C\C(C[C@]([C@]1(O)[H])(O)[H])=C\C=C/1CCC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)(C)O)[H])[H])[H])C)[H]
SPLASH splash10-0a5c-9210200000-33f9c4aa2aaebf430549
Source of Spectrum AF-52-SM8-3
Wiley ID 1873628