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Verrucosin-4

View entire compound with spectra: 1 MS (GC)

Verrucosin-4
SpectraBase Compound ID WbpSKLMYAd
InChI InChI=1S/C25H40O5/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-25(28)30-18-24(27)17-29-23(6)26/h10,12,14,16,24,27H,7-9,11,13,15,17-18H2,1-6H3/b20-12+,21-14+,22-16+/t24-/m0/s1
InChIKey YRLGSSSUMSWYFS-GEZSXCAASA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pQ9V80XRtj
Name Verrucosin-4
Alternate Name(s) (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid[(2S)-3-acetoxy-2-hydroxy-propyl]ester (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid[(2S)-3-acetyloxy-2-hydroxypropyl]ester (2S)-3-(acetyloxy)-2-hydroxypropyl (2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenoate [(2S)-3-acetoxy-2-hydroxy-propyl](2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate [(2S)-3-acetyloxy-2-hydroxypropyl](2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate [(2S)-3-acetyloxy-2-oxidanyl-propyl](2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid [(2S)-3-acetyloxy-2-hydroxypropyl] ester [(2S)-3-acetyloxy-2-hydroxypropyl] (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate [(2S)-3-acetoxy-2-hydroxy-propyl] (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate [(2S)-3-acetyloxy-2-oxidanyl-propyl] (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
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Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-22(5)16-25(28)30-18-24(27)17-29-23(6)26/h10,12,14,16,24,27H,7-9,11,13,15,17-18H2,1-6H3/b20-12+,21-14+,22-16+/t24-/m0/s1
InChIKey YRLGSSSUMSWYFS-GEZSXCAASA-N
Molecular Weight 420.590 g/mol
SMILES O[C@](COC(\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)=O)(COC(=O)C)[H]
SPLASH splash10-014i-9400000000-cbc8505dd7f8840d7e7b
Source of Spectrum F-53-1501-7
Wiley ID 800268