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(22E)-(24R)-2-Methylene-22-dehydro-1a,24,25-trihydroxy-19-norvitanin D-3
SpectraBase Compound ID IbS50ckdRyr
InChI InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)21-11-12-22-20(7-6-14-27(21,22)5)10-9-19-15-23(28)18(2)24(29)16-19/h8-10,13,17,21-25,28-31H,2,6-7,11-12,14-16H2,1,3-5H3/b13-8+,20-10+/t17-,21-,22+,23-,24-,25-,27-/m1/s1
InChIKey DGLGCKCSFIKFMZ-BIKRMKAFSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kadBcK8XzT
Name (22E)-(24R)-2-Methylene-22-dehydro-1a,24,25-trihydroxy-19-norvitanin D-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)21-11-12-22-20(7-6-14-27(21,22)5)10-9-19-15-23(28)18(2)24(29)16-19/h8-10,13,17,21-25,28-31H,2,6-7,11-12,14-16H2,1,3-5H3/b13-8+,20-10+/t17-,21-,22+,23-,24-,25-,27-/m1/s1
InChIKey DGLGCKCSFIKFMZ-BIKRMKAFSA-N
Instrument Name Micromass AutoSpec
Ionization Type EI
Molecular Weight 430.629 g/mol
SMILES OC([C@@](\C=C\[C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C/C=C1C[C@](C([C@@](C1)(O)[H])=C)(O)[H])C)[H])[H])(C)[H])(O)[H])(C)C
SPLASH splash10-0006-9010000000-25d4bc18c5b56e8142fc
Source of Spectrum AU2013375208A1
Wiley ID 1850201