| SpectraBase Compound ID | KfrQxtwfekx |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-14(2)6-5-12(17)13-10(8-16)9(7-15)3-4-11(13)14/h3,7-8,10-11,13H,4-6H2,1-2H3/t10-,11+,13+/m0/s1 |
| InChIKey | HIRWQNBXJGMISA-DMDPSCGWSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G9gCGnseEFo |
|---|---|
| Name | Kuehneromycin B |
| Alternate Name(s) | (1R,4aR,8aS)-5,5-dimethyl-8-oxidanylidene-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarbaldehyde (1R,4aR,8aS)-5,5-dimethyl-8-oxo-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarbaldehyde (1R,4aR,8aS)-5,5-dimethyl-8-oxo-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarboxaldehyde (1R,4aR,8aS)-8-keto-5,5-dimethyl-1,4,4a,6,7,8a-hexahydronaphthalene-1,2-dicarbaldehyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-14(2)6-5-12(17)13-10(8-16)9(7-15)3-4-11(13)14/h3,7-8,10-11,13H,4-6H2,1-2H3/t10-,11+,13+/m0/s1 |
| InChIKey | HIRWQNBXJGMISA-DMDPSCGWSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | [C@@]12([C@](C(C)(C)CCC2=O)(CC=C([C@@]1(C=O)[H])C=O)[H])[H] |
| SPLASH | splash10-053r-0900000000-0ab98fd599b8eca694ee |
| Source of Spectrum | C5-2004-667-1 |
| Wiley ID | 1616794 |