![2,5-[3',7',11-Trimethyl-1'-(isobut-1"'-enyl)trideca-3',7',11-triene-1',13-diyl]-2-acetoxy-6-hydroxy-(tetrahydro)-benzene-1,3,4-trione](/api/spectrum/71wkyBxuHgF/structure.png?h=300&w=458 "2,5-[3',7',11-Trimethyl-1'-(isobut-1\"'-enyl)trideca-3',7',11-triene-1',13-diyl]-2-acetoxy-6-hydroxy-(tetrahydro)-benzene-1,3,4-trione")
| SpectraBase Compound ID | AbnncY7CEfj |
|---|---|
| InChI | InChI=1S/C28H36O6/c1-17(2)15-22-16-20(5)12-8-10-18(3)9-7-11-19(4)13-14-23-24(30)26(32)28(22,34-21(6)29)27(33)25(23)31/h9,12-13,15,22,30H,7-8,10-11,14,16H2,1-6H3/b18-9+,19-13+,20-12+/t22-,28+/m1/s1 |
| InChIKey | BFLVHVWVDWTKSG-CPNRULJGSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C28H36O6 |
| Exact Mass | 468.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 71wkyBxuHgF |
|---|---|
| Name | 2-acetoxyrhizopogone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36O6 |
| InChI | InChI=1S/C28H36O6/c1-17(2)15-22-16-20(5)12-8-10-18(3)9-7-11-19(4)13-14-23-24(30)26(32)28(22,34-21(6)29)27(33)25(23)31/h9,12-13,15,22,30H,7-8,10-11,14,16H2,1-6H3/b18-9+,19-13+,20-12+/t22-,28+/m1/s1 |
| InChIKey | BFLVHVWVDWTKSG-CPNRULJGSA-N |
| Instrument Name | Finnigan MAT 90 or Finnigan MAT 95Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np8007073 |
| Molecular Weight | 468.590 g/mol |
| Reported Formula | C28H36O6 |
| SMILES | OC=1C([C@@]2(C(C(C1C\C=C/(C)CC\C=C\(CC\C=C\(C[C@]2(C=C(C)C)[H])C)C)=O)=O)OC(C)=O)=O |
| SPLASH | splash10-066r-7891200000-9fb16441f8962d17ec0c |
| Source of Spectrum | G4-72-SM24-5 |
| Wiley ID | 1872154 |