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Vitamin K1(25)
SpectraBase Compound ID Gn64jtwOqT3
InChI InChI=1S/C36H56O2/c1-26(2)14-10-15-27(3)16-11-17-28(4)18-12-19-29(5)20-13-21-30(6)24-25-32-31(7)35(37)33-22-8-9-23-34(33)36(32)38/h8-9,22-24,26-29H,10-21,25H2,1-7H3/b30-24+/t27-,28-,29-/m1/s1
InChIKey BZMAZXMEQPQQDC-VASYFTRHSA-N
Mol Weight 520.8 g/mol
Molecular Formula C36H56O2
Exact Mass 520.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57Hi4cMT2Em
Name Vitamin K1(25)
Alternate Name(s) 2-Methyl-3-((7R,11R,15R,E)-3,7,11,15,19-pentamethylicos-2-en-1-yl)naphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56O2
InChI InChI=1S/C36H56O2/c1-26(2)14-10-15-27(3)16-11-17-28(4)18-12-19-29(5)20-13-21-30(6)24-25-32-31(7)35(37)33-22-8-9-23-34(33)36(32)38/h8-9,22-24,26-29H,10-21,25H2,1-7H3/b30-24+/t27-,28-,29-/m1/s1
InChIKey BZMAZXMEQPQQDC-VASYFTRHSA-N
Literature Reference DOI 10.1002/rcm.3807
Molecular Weight 520.842 g/mol
SMILES c1cc2c(cc1)C(C(=C(C2=O)C\C=C\(CCC[C@@](CCC[C@](C)(CCC[C@@](CCCC(C)C)(C)[H])[H])(C)[H])C)C)=O
SPLASH splash10-0ab9-2490040000-de5edf5d28c623097d87
Source of Spectrum RCM-22-3864-Fig.5
Wiley ID 1814543