| SpectraBase Compound ID | DJGO9YrFJMb |
|---|---|
| InChI | InChI=1S/C20H36O8/c1-11(15(22)9-19(24)26-4)6-7-14(21)12(2)17-8-16(23)13(3)18(28-17)10-20(25)27-5/h11-18,21-23H,6-10H2,1-5H3 |
| InChIKey | IWTAVKVLMUFODT-UHFFFAOYSA-N |
| Mol Weight | 404.5 g/mol |
| Molecular Formula | C20H36O8 |
| Exact Mass | 404.241018 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5K0waaQsi9u |
|---|---|
| Name | 2H-Pyran-2-octanoic acid, tetrahydro-.beta.,.zeta.,4-trihydroxy-6-(2-methoxy-2-oxoethyl)-.gamma.,.eta.,5-trimethyl-, methyl ester |
| CAS Registry Number | 85888-07-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H36O8 |
| InChI | InChI=1S/C20H36O8/c1-11(15(22)9-19(24)26-4)6-7-14(21)12(2)17-8-16(23)13(3)18(28-17)10-20(25)27-5/h11-18,21-23H,6-10H2,1-5H3 |
| InChIKey | IWTAVKVLMUFODT-UHFFFAOYSA-N |
| Molecular Weight | 404.500 g/mol |
| SMILES | OC1CC(C(C(CCC(C(O)CC(OC)=O)C)O)C)OC(C1C)CC(OC)=O |
| SPLASH | splash10-01vo-5900000000-59d854e34585f5cde8bc |
| Source of Spectrum | H-66-256-0 |
| Synonyms | Methyl 3,7-anhydro-2,4,6-trideoxy-7-(2,6-dihydroxy-8-methoxy-1,5-dimethyl-8-oxooctyl)-4-methylheptonate 3,7-Anhydro-3,5,7,9,13-pentahydroxy-4,8,12-trimethylpentadecanedioic acid dimethyl ester 3,7-Anhydro-3,7,5,9,13-pentahydroxy-4,8,12-trimethylpentadecandioic acid-dimethylester 3,7-Dihydroxy-8-[4-hydroxy-6-(2-keto-2-methoxy-ethyl)-5-methyl-tetrahydropyran-2-yl]-4-methyl-pelargonic acid methyl ester 3,7-Dihydroxy-8-[4-hydroxy-6-(2-methoxy-2-oxoethyl)-5-methyl-2-oxanyl]-4-methylnonanoic acid methyl ester Methyl 3,7-dihydroxy-8-[4-hydroxy-6-(2-methoxy-2-oxo-ethyl)-5-methyl-tetrahydropyran-2-yl]-4-methyl-nonanoate Methyl 3,7-dihydroxy-8-[4-hydroxy-6-(2-methoxy-2-oxoethyl)-5-methyloxan-2-yl]-4-methylnonanoate Methyl 8-[6-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-oxidanyl-oxan-2-yl]-4-methyl-3,7-bis(oxidanyl)nonanoate |
| Wiley ID | 1371172 |