![(3aR,6S,6aS,9aR,9bS)-1,9-diketo-6-methyl-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-c]furan-9a-carboxylic acid methyl ester](/api/spectrum/IV6xdMp0jlE/structure.png?h=300&w=458 "(3aR,6S,6aS,9aR,9bS)-1,9-diketo-6-methyl-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-c]furan-9a-carboxylic acid methyl ester")
| SpectraBase Compound ID | KgqjcbzhZqX |
|---|---|
| InChI | InChI=1S/C15H20O5/c1-8-3-4-9-7-20-13(17)12(9)15(14(18)19-2)10(8)5-6-11(15)16/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,12+,15-/m0/s1 |
| InChIKey | SPEYQPWJRSVTFD-ZHUMFCCLSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C15H20O5 |
| Exact Mass | 280.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IV6xdMp0jlE |
|---|---|
| Name | (3aR,6S,6aS,9aR,9bS)-1,9-diketo-6-methyl-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-c]furan-9a-carboxylic acid methyl ester |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O5 |
| InChI | InChI=1S/C15H20O5/c1-8-3-4-9-7-20-13(17)12(9)15(14(18)19-2)10(8)5-6-11(15)16/h8-10,12H,3-7H2,1-2H3/t8-,9-,10-,12+,15-/m0/s1 |
| InChIKey | SPEYQPWJRSVTFD-ZHUMFCCLSA-N |
| Molecular Weight | 280.320 g/mol |
| SMILES | [C@]12([C@]3(C(OC[C@@]3(CC[C@@]([C@@]1(CCC2=O)[H])(C)[H])[H])=O)[H])C(=O)OC |
| SPLASH | splash10-0a59-0090000000-715aae2d36a8dc22c54d |
| Source of Spectrum | F-55-1040-11 |
| Synonyms | (3aR,6S,6aS,9aR,9bS)-6-methyl-1,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-c]furan-9a-carboxylic acid methyl ester methyl (3aR,6S,6aS,9aR,9bS)-6-methyl-1,9-bis(oxidanylidene)-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-c]furan-9a-carboxylate methyl (3aR,6S,6aS,9aR,9bS)-6-methyl-1,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydro-3H-azuleno[4,5-c]furan-9a-carboxylate |
| Wiley ID | 836549 |