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endo-Z,Z'-(3a.7a',7a.3a')diligustilide
SpectraBase Compound ID IrTiqxiw07b
InChI InChI=1S/C24H28O4/c1-3-5-11-17-21-13-7-9-15-23(21,19(25)27-17)22-14-8-10-16-24(21,22)20(26)28-18(22)12-6-4-2/h9-12,15-16H,3-8,13-14H2,1-2H3/b17-11-,18-12-/t21-,22+,23+,24-/m0/s1
InChIKey SQLBJXWSQGXJLZ-WEFNGJRVSA-N
Mol Weight 380.48 g/mol
Molecular Formula C24H28O4
Exact Mass 380.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tg13CF3I3b
Name endo-Z,Z'-(3a.7a',7a.3a')diligustilide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O4
InChI InChI=1S/C24H28O4/c1-3-5-11-17-21-13-7-9-15-23(21,19(25)27-17)22-14-8-10-16-24(21,22)20(26)28-18(22)12-6-4-2/h9-12,15-16H,3-8,13-14H2,1-2H3/b17-11-,18-12-/t21-,22+,23+,24-/m0/s1
InChIKey SQLBJXWSQGXJLZ-WEFNGJRVSA-N
Molecular Weight 380.484 g/mol
SMILES [C@@]123[C@@](\C(=C\CCC)OC3=O)(CCC=C1)[C@]13[C@@]2(\C(OC3=O)=C\CCC)CCC=C1
SPLASH splash10-0006-1900000000-eb37e9073a4d2932665d
Source of Spectrum Y1-46-3006-8
Synonyms exo-Z,Z'-(3a.7a',7a.3a')diligustilide
Wiley ID 1622430