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(2E,12E,22E)-TRIACONTA-2,12,22-TRIENE-1,11,21-TRIOLIDE
SpectraBase Compound ID 78C6RrQzWFw
InChI InChI=1S/C30H48O6/c31-28-22-16-10-4-1-7-13-19-25-34-29(32)23-17-11-5-2-9-15-21-27-36-30(33)24-18-12-6-3-8-14-20-26-35-28/h16-18,22-24H,1-15,19-21,25-27H2/b22-16+,23-17+,24-18+
InChIKey MJINOXFSYKQIJZ-GOQATJGESA-N
Mol Weight 504.7 g/mol
Molecular Formula C30H48O6
Exact Mass 504.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXWSlTD19St
Name Triaconta-2,12,22-triene-1,11,21-triolide
Alternate Name(s) 1,12,23-trioxacyclotritriaconta-3,14,25-triene-2,13,24-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O6
InChI InChI=1S/C30H48O6/c31-28-22-16-10-4-1-7-13-19-25-34-29(32)23-17-11-5-2-9-15-21-27-36-30(33)24-18-12-6-3-8-14-20-26-35-28/h16-18,22-24H,1-15,19-21,25-27H2/b22-16+,23-17+,24-18+
InChIKey MJINOXFSYKQIJZ-GOQATJGESA-N
Molecular Weight 504.708 g/mol
SMILES C1(OCCCCCCC\C=C\C(OCCCCCCC\C=C\C(OCCCCCCC\C=C\1)=O)=O)=O
SPLASH splash10-0l7i-9400000000-55b20a11d4e0a902ffae
Source of Spectrum AC-1991-755-8
Wiley ID 747874