| SpectraBase Compound ID | 5rwWInncx1P |
|---|---|
| InChI | InChI=1S/C26H37NO8/c1-6-7-13-20-23(35-21(28)14-16(2)3)18(5)34-25(30)22(17(4)33-24(20)29)27-26(31)32-15-19-11-9-8-10-12-19/h8-12,16-18,20,22-23H,6-7,13-15H2,1-5H3,(H,27,31)/t17-,18+,20+,22+,23+/m1/s1 |
| InChIKey | LUKIYEDUKKCJBL-WBZBWJJNSA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C26H37NO8 |
| Exact Mass | 491.251917 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Et7TQDVu5q |
|---|---|
| Name | 3-Benzyloxycarbonylamino-7-n-butyl-4,9-dimethyl-1,5-dioxa-8-isobutylcarbonyloxycyclononane-2,6-dione isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H37NO8 |
| InChI | InChI=1S/C26H37NO8/c1-6-7-13-20-23(35-21(28)14-16(2)3)18(5)34-25(30)22(17(4)33-24(20)29)27-26(31)32-15-19-11-9-8-10-12-19/h8-12,16-18,20,22-23H,6-7,13-15H2,1-5H3,(H,27,31)/t17-,18+,20+,22+,23+/m1/s1 |
| InChIKey | LUKIYEDUKKCJBL-WBZBWJJNSA-N |
| Molecular Weight | 491.581 g/mol |
| SMILES | N([C@@]1(C(O[C@]([C@@]([C@](CCCC)(C(O[C@@]1(C)[H])=O)[H])(OC(=O)CC(C)C)[H])(C)[H])=O)[H])C(=O)OCc1ccccc1 |
| SPLASH | splash10-052e-8069000000-3b62b5594bb57153c5c0 |
| Source of Spectrum | F-48-7069-6 |
| Synonyms | 3-Methyl-butyric acid (2R,3S,6S,7R,8S)-3-benzyloxycarbonylamino-8-butyl-2,6-dimethyl-4,9-dioxo-[1,5]dioxonan-7-yl ester 3-{[(benzyloxy)carbonyl]amino}-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate 3-Methylbutanoic acid [(2R,3S,6S,7R,8S)-8-butyl-2,6-dimethyl-4,9-dioxo-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl] ester [(2R,3S,6S,7R,8S)-8-butyl-2,6-dimethyl-4,9-dioxo-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl] 3-methylbutanoate [(2R,3S,6S,7R,8S)-3-(benzyloxycarbonylamino)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate [(2R,3S,6S,7R,8S)-8-butyl-2,6-dimethyl-4,9-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl] 3-methylbutanoate |
| Wiley ID | 1397397 |