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2-Methylene-1.alpha.-hydroxy-18,19,21-trinorvitamin D3
SpectraBase Compound ID 181Tc0NDS5C
InChI InChI=1S/C25H40O2/c1-17(2)7-4-5-8-20-13-14-23-21(9-6-10-22(20)23)12-11-19-15-24(26)18(3)25(27)16-19/h11-12,17,20,22-27H,3-10,13-16H2,1-2H3/b21-12+/t20-,22+,23-,24+,25+/m0/s1
InChIKey WXRVMVRGINZIAB-KRQUFRDBSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1O1xa5E2h2q
Name 2-Methylene-1.alpha.-hydroxy-18,19,21-trinorvitamin D3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-17(2)7-4-5-8-20-13-14-23-21(9-6-10-22(20)23)12-11-19-15-24(26)18(3)25(27)16-19/h11-12,17,20,22-27H,3-10,13-16H2,1-2H3/b21-12+/t20-,22+,23-,24+,25+/m0/s1
InChIKey WXRVMVRGINZIAB-KRQUFRDBSA-N
Ionization Type EI
Molecular Weight 372.593 g/mol
SMILES O[C@@]1(CC(C[C@](C1=C)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)(CCCCC(C)C)[H])[H])[H])[H]
SPLASH splash10-05tr-0295000000-aef4644b0cf515e05446
Source of Spectrum US8575136B2
Wiley ID 1847834