| 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)
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| SpectraBase Spectrum ID | 5pQ9V80XRtj |
|---|---|
| Name | Verrucosin-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Synonyms | (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 |
| Wiley ID | 800268 |