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(2E,11E,20E)-HEPTACOSA-2,11,20-TRIENE-1,10,19-TRIOLIDE
SpectraBase Compound ID 9drf8rTpyGY
InChI InChI=1S/C27H42O6/c28-25-19-13-7-1-4-10-16-22-31-26(29)20-14-8-3-6-12-18-24-33-27(30)21-15-9-2-5-11-17-23-32-25/h13-15,19-21H,1-12,16-18,22-24H2/b19-13+,20-14+,21-15+
InChIKey MYWQMPWWAPZHRL-KXVWNZKWSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14uT24bj81h
Name Heptacosa-2,11,20-triene-1,10,19-triolide
Alternate Name(s) 1,11,21-trioxacyclotriaconta-3,13,23-triene-2,12,22-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c28-25-19-13-7-1-4-10-16-22-31-26(29)20-14-8-3-6-12-18-24-33-27(30)21-15-9-2-5-11-17-23-32-25/h13-15,19-21H,1-12,16-18,22-24H2/b19-13+,20-14+,21-15+
InChIKey MYWQMPWWAPZHRL-KXVWNZKWSA-N
Molecular Weight 462.627 g/mol
SMILES C1(OCCCCCC\C=C\C(OCCCCCC\C=C\C(OCCCCCC\C=C\1)=O)=O)=O
SPLASH splash10-054o-9100000000-ed6b26112ab04a6fd129
Source of Spectrum AC-1991-754-8
Wiley ID 747879