(1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate

SpectraBase Compound ID	ANRgXpFAAnn
InChI	InChI=1S/C23H26ClN3O8/c1-12(28)32-11-17-9-20(27-10-19(25-26-27)16-5-7-18(24)8-6-16)22(34-14(3)30)23(35-15(4)31)21(17)33-13(2)29/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey	ZKKZAEFAROFNCP-IDINPZAYSA-N Google Search
Mol Weight	507.93 g/mol
Molecular Formula	C23H26ClN3O8
Exact Mass	507.140843 g/mol

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SpectraBase Spectrum ID	ExA8YjDwxhg
Name	(1S,2S,3R,4R,6S)-4-(Acetoxymethyl)-6-[4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl]cyclohexane-1,2,3-triyl Triacetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H26ClN3O8
InChI	InChI=1S/C23H26ClN3O8/c1-12(28)32-11-17-9-20(27-10-19(25-26-27)16-5-7-18(24)8-6-16)22(34-14(3)30)23(35-15(4)31)21(17)33-13(2)29/h5-8,10,17,20-23H,9,11H2,1-4H3/t17-,20+,21-,22+,23+/m1/s1
InChIKey	ZKKZAEFAROFNCP-IDINPZAYSA-N
Molecular Weight	507.927 g/mol
SMILES	c1(nn[n](c1)[C@@]1([C@@]([C@@](OC(=O)C)([C@@]([C@](C1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])-c1ccc(cc1)Cl
SPLASH	splash10-054o-4910000000-3c39899301359d59f5bf
Source of Spectrum	U1-2014-3629-13d
Synonyms	(1S,2S,3R,4R,6S)-4-(acetoxymethyl)-6-(4-(4-chlorophenyl)-1H-1,2,3-triazol-1-yl)cyclohexane-1,2,3-triyl triacetate
Wiley ID	1740714