6-(Benzo[d][1,3]dioxol-5-yl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylic acid methyl ester

SpectraBase Compound ID	HTpvHTgDaFS
InChI	InChI=1S/C23H23NO8/c1-23(27)15(11-25)18(13-6-4-3-5-7-13)21(24(28)29)19(20(23)22(26)30-2)14-8-9-16-17(10-14)32-12-31-16/h3-11,15,18-21,27H,12H2,1-2H3/t15-,18-,19+,20-,21-,23-/m1/s1
InChIKey	FGSIEDKWJRAYKT-FUTWLCCKSA-N Google Search
Mol Weight	441.44 g/mol
Molecular Formula	C23H23NO8
Exact Mass	441.142367 g/mol

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SpectraBase Spectrum ID	3ACTtM6HD6
Name	6-(Benzo[d][1,3]dioxol-5-yl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylic acid methyl ester
Alternate Name(s)	(1S,2R,3R,4S,5R,6R)-methyl 6-(benzo[d][1,3]dioxol-5-yl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H23NO8
InChI	InChI=1S/C23H23NO8/c1-23(27)15(11-25)18(13-6-4-3-5-7-13)21(24(28)29)19(20(23)22(26)30-2)14-8-9-16-17(10-14)32-12-31-16/h3-11,15,18-21,27H,12H2,1-2H3/t15-,18-,19+,20-,21-,23-/m1/s1
InChIKey	FGSIEDKWJRAYKT-FUTWLCCKSA-N
Literature Reference DOI	10.1002/adsc.201200120
Molecular Weight	441.436 g/mol
SMILES	O[C@@]1(C)[C@]([C@@]([C@]([N+](=O)[O-])([C@](c2ccccc2)([C@]1(C=O)[H])[H])[H])(c1cc2c(cc1)OCO2)[H])(C(=O)OC)[H]
SPLASH	splash10-002f-6970600000-76fa799376b529cc52b2
Source of Spectrum	ASC-354-1486-5g
Wiley ID	1763063