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2-Hentriacontyl-5,7-dihydroxy-8-methyl-4H-1-benzopyran-4-one
SpectraBase Compound ID 5mINfiOr90s
InChI InChI=1S/C41H70O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-33-38(43)40-39(44)34-37(42)35(2)41(40)45-36/h33-34,42,44H,3-32H2,1-2H3
InChIKey MJYQBVQGXNMYSG-UHFFFAOYSA-N
Mol Weight 627.0 g/mol
Molecular Formula C41H70O4
Exact Mass 626.527411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaLHossPzKa
Name 2-Hentriacontyl-5,7-dihydroxy-8-methyl-4H-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H70O4
InChI InChI=1S/C41H70O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-36-33-38(43)40-39(44)34-37(42)35(2)41(40)45-36/h33-34,42,44H,3-32H2,1-2H3
InChIKey MJYQBVQGXNMYSG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100261
Molecular Weight 627.007 g/mol
SMILES Oc1c2c(c(c(c1)O)C)OC(=CC2=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-01ba-1270090000-5e031f51c6d5e7358ec2
Source of Spectrum H-95-150-3
Synonyms 2-Hentriacontyl-5,7-dihydroxy-8-methyl-4H-chromen-4-one
Wiley ID 1786129