4'-(n-decyloxy)phenyl 4-[(S,S)-2,3-epoxy-(S)-1-hydroxynonyl]-benzoate

SpectraBase Compound ID	DvzCf3hzF36
InChI	InChI=1S/C32H46O5/c1-3-5-7-9-10-11-12-14-24-35-27-20-22-28(23-21-27)36-32(34)26-18-16-25(17-19-26)30(33)31-29(37-31)15-13-8-6-4-2/h16-23,29-31,33H,3-15,24H2,1-2H3/t29-,30-,31+/m0/s1
InChIKey	HUVUODABEGYIHC-RWSKJCERSA-N Google Search
Mol Weight	510.7 g/mol
Molecular Formula	C32H46O5
Exact Mass	510.334525 g/mol

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SpectraBase Spectrum ID	wmMYsF7mS
Name	4'-(n-decyloxy)phenyl 4-[(S,S)-2,3-epoxy-(S)-1-hydroxynonyl]-benzoate
Alternate Name(s)	4-(decyloxy)phenyl 4-[(S)-[(2S,3S)-3-hexyloxiranyl](hydroxy)methyl]benzoate 4-[(S)-[(2S,3S)-3-hexyl-2-oxiranyl]-hydroxymethyl]benzoic acid (4-decoxyphenyl) ester (4-decoxyphenyl) 4-[(S)-[(2S,3S)-3-hexyloxiran-2-yl]-hydroxymethyl]benzoate (4-decoxyphenyl) 4-[(S)-[(2S,3S)-3-hexyloxiran-2-yl]-hydroxy-methyl]benzoate (4-decoxyphenyl) 4-[(S)-[(2S,3S)-3-hexyloxiran-2-yl]-oxidanyl-methyl]benzoate
CAS Registry Number	117438-58-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H46O5
InChI	InChI=1S/C32H46O5/c1-3-5-7-9-10-11-12-14-24-35-27-20-22-28(23-21-27)36-32(34)26-18-16-25(17-19-26)30(33)31-29(37-31)15-13-8-6-4-2/h16-23,29-31,33H,3-15,24H2,1-2H3/t29-,30-,31+/m0/s1
InChIKey	HUVUODABEGYIHC-RWSKJCERSA-N
Molecular Weight	510.715 g/mol
SMILES	O[C@]([C@@]1(O[C@]1(CCCCCC)[H])[H])(c1ccc(C(Oc2ccc(cc2)OCCCCCCCCCC)=O)cc1)[H]
SPLASH	splash10-001j-0900000000-ce3875ff627d569b8b5b
Source of Spectrum	C-111-8689-3
Wiley ID	1400594