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1-Aceoxy-5-anisoylerulinkiol
SpectraBase Compound ID 99sxne0e48A
InChI InChI=1S/C25H34O6/c1-15(2)25(28)12-11-24(5)21(30-17(4)26)14-16(3)13-20(22(24)25)31-23(27)18-7-9-19(29-6)10-8-18/h7-10,14-15,20-22,28H,11-13H2,1-6H3/t20-,21?,22+,24?,25+/m0/s1
InChIKey OXKMNBITZDQOOE-ICEIOMRLSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BgVE7exavv
Name 1-Aceoxy-5-anisoylerulinkiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O6
InChI InChI=1S/C25H34O6/c1-15(2)25(28)12-11-24(5)21(30-17(4)26)14-16(3)13-20(22(24)25)31-23(27)18-7-9-19(29-6)10-8-18/h7-10,14-15,20-22,28H,11-13H2,1-6H3/t20-,21?,22+,24?,25+/m0/s1
InChIKey OXKMNBITZDQOOE-ICEIOMRLSA-N
Molecular Weight 430.541 g/mol
SMILES O[C@@]1([C@]2(C(C(C=C(C[C@@]2(OC(c2ccc(cc2)OC)=O)[H])C)OC(=O)C)(CC1)C)[H])C(C)C
SPLASH splash10-0fbm-2900000000-bfdcb6478b96f692f63e
Source of Spectrum CF-10-488-17
Wiley ID 1556978