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.beta.-D-Glucopyranose, 6-(9,12-octadecadienoate), (Z,Z)-
SpectraBase Compound ID A3PdfH8n7Yw
InChI InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)30-18-19-21(26)22(27)23(28)24(29)31-19/h6-7,9-10,19,21-24,26-29H,2-5,8,11-18H2,1H3/b7-6-,10-9-/t19-,21-,22+,23-,24-/m1/s1
InChIKey PWVJVZNFRVIBEE-PXXQIKBQSA-N
Mol Weight 442.6 g/mol
Molecular Formula C24H42O7
Exact Mass 442.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wckc1XczJ5
Name .beta.-D-Glucopyranose, 6-(9,12-octadecadienoate), (Z,Z)-
Alternate Name(s) 6-O-[(9Z,12Z)-9,12-octadecadienoyl]-.beta.-D-glucopyranose
CAS Registry Number 68780-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42O7
InChI InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)30-18-19-21(26)22(27)23(28)24(29)31-19/h6-7,9-10,19,21-24,26-29H,2-5,8,11-18H2,1H3/b7-6-,10-9-/t19-,21-,22+,23-,24-/m1/s1
InChIKey PWVJVZNFRVIBEE-PXXQIKBQSA-N
Molecular Weight 442.593 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)[H])[H]
SPLASH splash10-014i-0190000000-fe78bd5431eb63177024
Source of Spectrum W5-35244-30292-30292
Wiley ID 1385343