| SpectraBase Compound ID | Almd4jHIpJd |
|---|---|
| InChI | InChI=1S/C12H18O5/c1-2-3-6(13)10-7-5(4-16-10)8(14)11-12(17-11)9(7)15/h6,8-15H,2-4H2,1H3/t6?,8-,9-,10-,11+,12-/m1/s1 |
| InChIKey | SRPYFEBUZUGTPY-UARVUDJCSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C12H18O5 |
| Exact Mass | 242.115424 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LTCQxKTshbF |
|---|---|
| Name | 4,7-Dihydroxy-9-(1'-hydroxybutyl)-5,6-epoxy-2,4,5,6,7,9-tetrahydrohydrobenzo[c]furan |
| Alternate Name(s) | Phaeofuran B (1aR,2R,3S,6R,6aS)-3-(1-hydroxybutyl)-1a,2,3,5,6,6a-hexahydrooxireno[2,3-f][2]benzofuran-2,6-diol (1aR,2R,3S,6R,6aS)-3-(1-hydroxybutyl)-1a,2,3,5,6,6a-hexahydrooxireno[2,3-f]isobenzofuran-2,6-diol (1aR,2R,3S,6R,6aS)-3-(1-oxidanylbutyl)-1a,2,3,5,6,6a-hexahydrooxireno[2,3-f][2]benzofuran-2,6-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18O5 |
| InChI | InChI=1S/C12H18O5/c1-2-3-6(13)10-7-5(4-16-10)8(14)11-12(17-11)9(7)15/h6,8-15H,2-4H2,1H3/t6?,8-,9-,10-,11+,12-/m1/s1 |
| InChIKey | SRPYFEBUZUGTPY-UARVUDJCSA-N |
| Molecular Weight | 242.271 g/mol |
| SMILES | O[C@@]1(C2=C([C@]([C@@]3([C@]1(O3)[H])[H])(O)[H])[C@](OC2)(C(O)CCC)[H])[H] |
| SPLASH | splash10-0a4i-9100000000-a6f14fb1006ac79e0358 |
| Source of Spectrum | G4-69-116-2 |
| Wiley ID | 1694624 |