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2-Propenoic acid, 3-[5-(6-hydroxyheptyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-, methyl ester, [4R-[4.alpha.(E),5.alpha.(R*)]]-
SpectraBase Compound ID 5uNXjNsm6N4
InChI InChI=1S/C16H28O5/c1-12(17)8-6-5-7-9-13-14(10-11-15(18)19-4)21-16(2,3)20-13/h10-14,17H,5-9H2,1-4H3/b11-10+/t12?,13-,14+/m0/s1
InChIKey WHWNAFANLPVXNN-IDVFWXQHSA-N
Mol Weight 300.39 g/mol
Molecular Formula C16H28O5
Exact Mass 300.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7ZPWwgH9aU
Name 2-Propenoic acid, 3-[5-(6-hydroxyheptyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-, methyl ester, [4R-[4.alpha.(E),5.alpha.(R*)]]-
CAS Registry Number 97911-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O5
InChI InChI=1S/C16H28O5/c1-12(17)8-6-5-7-9-13-14(10-11-15(18)19-4)21-16(2,3)20-13/h10-14,17H,5-9H2,1-4H3/b11-10+/t12?,13-,14+/m0/s1
InChIKey WHWNAFANLPVXNN-IDVFWXQHSA-N
Molecular Weight 300.395 g/mol
SMILES OC(CCCCC[C@@]1(OC(O[C@@]1(\C=C\C(=O)OC)[H])(C)C)[H])C
SPLASH splash10-0002-9420000000-1c27bff79a28885526ab
Source of Spectrum AJ-58-2147-3
Synonyms Methyl (2E)-3-[(4R,5S)-5-(6-hydroxyheptyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propenoate Methyl(4R,5S,11R,2E)-4,5-(isopropylidenedioxy)-11-hydroxy-2-dodecenoate
Wiley ID 1302811