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2,2-Dimethyl-5-[(16R)-16-oxidanylheptadecyl]-1,3-benzodioxin-4-one
SpectraBase Compound ID EkoMJp8dqJ3
InChI InChI=1S/C27H44O4/c1-22(28)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-23-20-17-21-24-25(23)26(29)31-27(2,3)30-24/h17,20-22,28H,4-16,18-19H2,1-3H3/t22-/m1/s1
InChIKey VEPCIONZIVSGSW-JOCHJYFZSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1lILp6Dyho
Name 2,2-Dimethyl-5-[(16R)-16-oxidanylheptadecyl]-1,3-benzodioxin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-22(28)18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-23-20-17-21-24-25(23)26(29)31-27(2,3)30-24/h17,20-22,28H,4-16,18-19H2,1-3H3/t22-/m1/s1
InChIKey VEPCIONZIVSGSW-JOCHJYFZSA-N
Molecular Weight 432.645 g/mol
SMILES O[C@@](CCCCCCCCCCCCCCCc1c2C(OC(Oc2ccc1)(C)C)=O)(C)[H]
SPLASH splash10-0ab9-2609100000-d1f6da8672731efd98e1
Source of Spectrum F-52-15076-13
Synonyms 5-[(16R)-16-hydroxyheptadecyl]-2,2-dimethyl-1,3-benzodioxin-4-one
Wiley ID 799709