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DL-manno-Nononamide, 2,6-anhydro-3,5,7-trideoxy-5,5-dimethyl-8,9-di-O-methyl-, 4-benzoate

View entire compound with spectra: 1 MS (GC)

DL-manno-Nononamide, 2,6-anhydro-3,5,7-trideoxy-5,5-dimethyl-8,9-di-O-methyl-, 4-benzoate
SpectraBase Compound ID BpkAyCxTVd3
InChI InChI=1S/C20H29NO6/c1-20(2)16(10-14(25-4)12-24-3)26-15(18(21)22)11-17(20)27-19(23)13-8-6-5-7-9-13/h5-9,14-17H,10-12H2,1-4H3,(H2,21,22)/t14-,15-,16+,17+/m0/s1
InChIKey KUYXZODHMXUQOH-MWDXBVQZSA-N
Mol Weight 379.45 g/mol
Molecular Formula C20H29NO6
Exact Mass 379.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGKRpdRo04P
Name DL-manno-Nononamide, 2,6-anhydro-3,5,7-trideoxy-5,5-dimethyl-8,9-di-O-methyl-, 4-benzoate
Alternate Name(s) (.+-.)-Benzoylpedamide (2R,4R,6S)-6-amido-4-benzyloxy-5,6-dihydro-3,3-dimethyl-2-(2,3-dimethoxypropyl)-2H,3H-pyran benzoic acid[(2R,4R,6S)-6-carbamoyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyl-4-oxanyl]ester benzoic acid[(2R,4R,6S)-6-carbamoyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyl-tetrahydropyran-4-yl]ester [(2R,4R,6S)-6-aminocarbonyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyl-oxan-4-yl]benzoate [(2R,4R,6S)-6-carbamoyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyl-tetrahydropyran-4-yl]benzoate [(2R,4R,6S)-6-carbamoyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyloxan-4-yl]benzoate benzoic acid [(2R,4R,6S)-6-carbamoyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyl-4-oxanyl] ester [(2R,4R,6S)-6-carbamoyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyloxan-4-yl] benzoate [(2R,4R,6S)-6-carbamoyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyl-tetrahydropyran-4-yl] benzoate [(2R,4R,6S)-6-aminocarbonyl-2-[(2S)-2,3-dimethoxypropyl]-3,3-dimethyl-oxan-4-yl] benzoate
CAS Registry Number 94536-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO6
InChI InChI=1S/C20H29NO6/c1-20(2)16(10-14(25-4)12-24-3)26-15(18(21)22)11-17(20)27-19(23)13-8-6-5-7-9-13/h5-9,14-17H,10-12H2,1-4H3,(H2,21,22)/t14-,15-,16+,17+/m0/s1
InChIKey KUYXZODHMXUQOH-MWDXBVQZSA-N
Molecular Weight 379.453 g/mol
SMILES NC([C@@]1(C[C@](C([C@](O1)(C[C@](OC)(COC)[H])[H])(C)C)(OC(=O)c1ccccc1)[H])[H])=O
SPLASH splash10-0a4i-0930000000-0827b8533aaba86890fa
Source of Spectrum F-46-1779-3
Wiley ID 1359256