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(4-methoxyphenyl)methyl N-[(4S,5R)-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate

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(4-methoxyphenyl)methyl N-[(4S,5R)-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
SpectraBase Compound ID 2jlS7fgGg8d
InChI InChI=1S/C21H31NO8/c1-20(2)27-12-15(17(29-20)18-16(10-23)28-21(3,4)30-18)22-19(24)26-11-13-6-8-14(25-5)9-7-13/h6-9,15-18,23H,10-12H2,1-5H3,(H,22,24)/t15-,16+,17+,18-/m1/s1
InChIKey CPEQRUXJZBSCBA-VSZNYVQBSA-N
Mol Weight 425.48 g/mol
Molecular Formula C21H31NO8
Exact Mass 425.204967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CI0A3fuQzYl
Name (4-methoxyphenyl)methyl N-[(4S,5R)-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamate
CAS Registry Number 130114-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO8
InChI InChI=1S/C21H31NO8/c1-20(2)27-12-15(17(29-20)18-16(10-23)28-21(3,4)30-18)22-19(24)26-11-13-6-8-14(25-5)9-7-13/h6-9,15-18,23H,10-12H2,1-5H3,(H,22,24)/t15-,16+,17+,18-/m1/s1
InChIKey CPEQRUXJZBSCBA-VSZNYVQBSA-N
Molecular Weight 425.478 g/mol
SMILES N(C(=O)OCc1ccc(cc1)OC)[C@]1([C@@]([C@]2([C@](CO)(OC(O2)(C)C)[H])[H])(OC(OC1)(C)C)[H])[H]
SPLASH splash10-0019-0900000000-f46fedbb74114b4da581
Source of Spectrum J-56-818-15
Synonyms N-[(4S,5R)-4-[(4S,5S)-2,2-dimethyl-5-methylol-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid p-anisyl ester N-[(4S,5R)-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]carbamic acid (4-methoxyphenyl)methyl ester
Wiley ID 1379619