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(1,2:5,6-Di-O-isopropylidene-.alpha.-D-glucofuranos-3-O-yl)-2-acetyl-5-methyl-4-hexenoate

View entire compound with spectra: 1 MS (GC)

(1,2:5,6-Di-O-isopropylidene-.alpha.-D-glucofuranos-3-O-yl)-2-acetyl-5-methyl-4-hexenoate
SpectraBase Compound ID 6PMypmNr9xu
InChI InChI=1S/C21H32O8/c1-11(2)8-9-13(12(3)22)18(23)25-16-15(14-10-24-20(4,5)27-14)26-19-17(16)28-21(6,7)29-19/h8,13-17,19H,9-10H2,1-7H3/t13?,14-,15-,16+,17-,19-/m1/s1
InChIKey MKGZAOWMYBPKLV-ZRAUNAMOSA-N
Mol Weight 412.5 g/mol
Molecular Formula C21H32O8
Exact Mass 412.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tNsF1X6tID
Name (1,2:5,6-Di-O-isopropylidene-.alpha.-D-glucofuranos-3-O-yl)-2-acetyl-5-methyl-4-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O8
InChI InChI=1S/C21H32O8/c1-11(2)8-9-13(12(3)22)18(23)25-16-15(14-10-24-20(4,5)27-14)26-19-17(16)28-21(6,7)29-19/h8,13-17,19H,9-10H2,1-7H3/t13?,14-,15-,16+,17-,19-/m1/s1
InChIKey MKGZAOWMYBPKLV-ZRAUNAMOSA-N
Molecular Weight 412.479 g/mol
SMILES [C@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@@]1(OC(O2)(C)C)[H])[H])(OC(C(CC=C(C)C)C(=O)C)=O)[H])[H]
SPLASH splash10-0udi-0903000000-d60f5f549a35f855e2e8
Source of Spectrum J-60-7882-7
Synonyms (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl 2-acetyl-5-methylhex-4-enoate 2-Acetyl-5-methyl-4-hexenoic acid[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ester 2-Acetyl-5-methyl-hex-4-enoic acid (3aR,5R,6S,6aR)-5-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester 2-Acetyl-5-methyl-hex-4-enoic acid[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ester [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]2-acetyl-5-methyl-hex-4-enoate [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]2-ethanoyl-5-methyl-hex-4-enoate 2-Acetyl-5-methyl-4-hexenoic acid [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-acetyl-5-methylhex-4-enoate [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-acetyl-5-methyl-hex-4-enoate [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 2-ethanoyl-5-methyl-hex-4-enoate
Wiley ID 1374360