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3-[3,5-diacetoxy-2-[(3E)-3-methyloximinooctyl]cyclopentyl]propionic acid methyl ester
SpectraBase Compound ID KlzzH45EvvW
InChI InChI=1S/C22H37NO7/c1-6-7-8-9-17(23-28-5)10-11-18-19(12-13-22(26)27-4)21(30-16(3)25)14-20(18)29-15(2)24/h18-21H,6-14H2,1-5H3/b23-17+
InChIKey JRKJLZCRFNWRLQ-HAVVHWLPSA-N
Mol Weight 427.5 g/mol
Molecular Formula C22H37NO7
Exact Mass 427.257003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dJu6tOdgG0
Name 3-[3,5-diacetoxy-2-[(3E)-3-methyloximinooctyl]cyclopentyl]propionic acid methyl ester
Alternate Name(s) Cyclopentanepropanoic acid, 3,5-bis(acetyloxy)-2-[3-(methoxyimino)octyl]-, methyl ester, [1R-(1.alpha.,2.beta.,3.alpha.,5.beta.)]- Methyl 3-(3,5-bis(acetyloxy)-2-[(3E)-3-(methoxyimino)octyl]cyclopentyl)propanoate 3-[3,5-diacetyloxy-2-[(3E)-3-methoxyiminooctyl]cyclopentyl]propanoic acid methyl ester Methyl 3-[3,5-diacetoxy-2-[(3E)-3-methoxyiminooctyl]cyclopentyl]propanoate Methyl 3-[3,5-diacetyloxy-2-[(3E)-3-methoxyiminooctyl]cyclopentyl]propanoate
CAS Registry Number 72150-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37NO7
InChI InChI=1S/C22H37NO7/c1-6-7-8-9-17(23-28-5)10-11-18-19(12-13-22(26)27-4)21(30-16(3)25)14-20(18)29-15(2)24/h18-21H,6-14H2,1-5H3/b23-17+
InChIKey JRKJLZCRFNWRLQ-HAVVHWLPSA-N
Molecular Weight 427.538 g/mol
SMILES CCCCC\C(CCC1C(CC(OC(C)=O)C1CCC(=O)OC)OC(C)=O)=N/OC
SPLASH splash10-05i0-2971000000-9845086b1e47846b0077
Source of Spectrum D-10-1078-6
Wiley ID 1380381