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Vitamin K1 epoxide
SpectraBase Compound ID BteOFl2iYet
InChI InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30?,31?/m1/s1
InChIKey KUTXFBIHPWIDJQ-HBDFACPTSA-N
Mol Weight 466.7 g/mol
Molecular Formula C31H46O3
Exact Mass 466.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FK0sSNXvwIH
Name Vitamin K1 epoxide
Alternate Name(s) 1a-methyl-7a-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
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Formula C31H46O3
InChI InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30?,31?/m1/s1
InChIKey KUTXFBIHPWIDJQ-HBDFACPTSA-N
Literature Reference DOI 10.1002/rcm.3807
Molecular Weight 466.706 g/mol
SMILES c1cc2c(cc1)C(C1(C(C2=O)(O1)C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C)=O
SPLASH splash10-0pbc-7970300000-22903b06205ec9777e89
Source of Spectrum RCM-22-3864-Fig.4
Wiley ID 1814542