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1.alpha.,2.alpha.,25-Trihydroxy-19-nor-vitamin D3
SpectraBase Compound ID G0epqCHWi3k
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-WNSHKEFOSA-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 B0oQCzqzR7g
Name 1.alpha.,2.alpha.,25-Trihydroxy-19-norvitamin D3
Alternate Name(s) 1.alpha.,2.beta.,25-Trihydroxy-19-norvitamin 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-WNSHKEFOSA-N
Molecular Weight 420.634 g/mol
SMILES O[C@@]1(CC(C[C@](C1O)(O)[H])=C\C=C\1C2[C@@](C(CC2)[C@@](CCCC(O)(C)C)(C)[H])(CCC1)C)[H]
SPLASH splash10-0kft-8032900000-ddeded659714dcd8e6f5
Source of Spectrum E1-37-3736-4
Wiley ID 1575392