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[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SpectraBase Compound ID 4grgbHAQkUF
InChI InChI=1S/C24H40O7/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/h3-4,6-7,9-10,19,21-24,26-29H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-/t19-,21-,22+,23-,24-/m1/s1
InChIKey NQUMXKFHKAGTAM-NVJIPKCOSA-N
Mol Weight 440.6 g/mol
Molecular Formula C24H40O7
Exact Mass 440.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jxrLKLFWN7
Name [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Alternate Name(s) [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl ester
CAS Registry Number 68780-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H40O7
InChI InChI=1S/C24H40O7/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/h3-4,6-7,9-10,19,21-24,26-29H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-/t19-,21-,22+,23-,24-/m1/s1
InChIKey NQUMXKFHKAGTAM-NVJIPKCOSA-N
Molecular Weight 440.577 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/C\C=C/CC)[H])[H]
SPLASH splash10-014i-0090000000-3924205a316e055867d9
Source of Spectrum W5-35164-30372-30372
Wiley ID 1384700