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(2R,3R,4S,11'R,12'R)-2-Acetoxymethyl-3-acetoxy-4-(11'-acetoxy-12'-methyltetradecyl)-N-pacetylzetidine
SpectraBase Compound ID IK5bC43XRah
InChI InChI=1S/C27H47NO7/c1-7-19(2)26(34-22(5)31)17-15-13-11-9-8-10-12-14-16-24-27(35-23(6)32)25(18-33-21(4)30)28(24)20(3)29/h19,24-27H,7-18H2,1-6H3/t19-,24-,25+,26-,27+/m0/s1
InChIKey HVMDAPQXNNRNBQ-UBOSYLJCSA-N
Mol Weight 497.7 g/mol
Molecular Formula C27H47NO7
Exact Mass 497.335253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OpLBV7lwkh
Name (2R,3R,4S,11'R,12'R)-2-Acetoxymethyl-3-acetoxy-4-(11'-acetoxy-12'-methyltetradecyl)-N-pacetylzetidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H47NO7
InChI InChI=1S/C27H47NO7/c1-7-19(2)26(34-22(5)31)17-15-13-11-9-8-10-12-14-16-24-27(35-23(6)32)25(18-33-21(4)30)28(24)20(3)29/h19,24-27H,7-18H2,1-6H3/t19-,24-,25+,26-,27+/m0/s1
InChIKey HVMDAPQXNNRNBQ-UBOSYLJCSA-N
Molecular Weight 497.673 g/mol
SMILES [C@]1(N([C@]([C@]1(OC(=O)C)[H])(CCCCCCCCCC[C@](OC(=O)C)([C@](CC)(C)[H])[H])[H])C(=O)C)(COC(=O)C)[H]
SPLASH splash10-0007-9025200000-b94cf9ae2b00d95b101a
Source of Spectrum H1-47-346-21
Synonyms (2R,3R,4S,11'R,12'R)-2-Acetoxymethyl-3-acetoxy-4-(11'-acetoxy-12'-methyltetradecyl)-N-acetylzetidine Acetic acid [(2R,3R,4S)-1-acetyl-3-acetyloxy-4-[(11S,12S)-11-acetyloxy-12-methyltetradecyl]-2-azetidinyl]methyl ester [(2R,3R,4S)-1-acetyl-3-acetyloxy-4-[(11S,12S)-11-acetyloxy-12-methyltetradecyl]azetidin-2-yl]methyl acetate [(2R,3R,4S)-3-acetoxy-4-[(11S,12S)-11-acetoxy-12-methyl-tetradecyl]-1-acetyl-azetidin-2-yl]methyl acetate [(2R,3R,4S)-3-acetyloxy-4-[(11S,12S)-11-acetyloxy-12-methyl-tetradecyl]-1-ethanoyl-azetidin-2-yl]methyl ethanoate
Wiley ID 816108