| SpectraBase Compound ID | FTOiUdQb6lw |
|---|---|
| InChI | InChI=1S/C17H24O7/c1-10-4-5-11(8-24-9-18)14(15(20)22-2)17(16(21)23-3)12(10)6-7-13(17)19/h9-12,14H,4-8H2,1-3H3/t10-,11+,12+,14-,17+/m1/s1 |
| InChIKey | MYSWEBFTAIPCNR-WHOOJLRASA-N |
| Mol Weight | 340.37 g/mol |
| Molecular Formula | C17H24O7 |
| Exact Mass | 340.152203 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2WfeJsd5lzz |
|---|---|
| Name | (3aR,4S,5R,8R,8aS)-5-(formyloxymethyl)-3-keto-8-methyl-1,2,4,5,6,7,8,8a-octahydroazulene-3a,4-dicarboxylic acid dimethyl ester |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H24O7 |
| InChI | InChI=1S/C17H24O7/c1-10-4-5-11(8-24-9-18)14(15(20)22-2)17(16(21)23-3)12(10)6-7-13(17)19/h9-12,14H,4-8H2,1-3H3/t10-,11+,12+,14-,17+/m1/s1 |
| InChIKey | MYSWEBFTAIPCNR-WHOOJLRASA-N |
| Molecular Weight | 340.372 g/mol |
| SMILES | [C@@]12([C@@](C(=O)OC)([C@@](CC[C@]([C@@]2(CCC1=O)[H])(C)[H])(COC=O)[H])[H])C(=O)OC |
| SPLASH | splash10-0a4i-0009000000-5445106fceee2f002b18 |
| Source of Spectrum | F-55-1035-4 |
| Synonyms | (3aR,4S,5R,8R,8aS)-5-(formyloxymethyl)-8-methyl-3-oxo-1,2,4,5,6,7,8,8a-octahydroazulene-3a,4-dicarboxylic acid dimethyl ester dimethyl (3aR,4S,5R,8R,8aS)-5-(formyloxymethyl)-8-methyl-3-oxo-1,2,4,5,6,7,8,8a-octahydroazulene-3a,4-dicarboxylate dimethyl (3aR,4S,5R,8R,8aS)-5-(methanoyloxymethyl)-8-methyl-3-oxidanylidene-1,2,4,5,6,7,8,8a-octahydroazulene-3a,4-dicarboxylate |
| Wiley ID | 836552 |