2-[(1S,2R,3R)-2-(acetoxymethyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indan-1-yl]ethyl acetate

SpectraBase Compound ID	8vbEcGtcL4q
InChI	InChI=1S/C26H32O8/c1-15(27)33-10-9-18-19-12-24(31-5)25(32-6)13-20(19)26(21(18)14-34-16(2)28)17-7-8-22(29-3)23(11-17)30-4/h7-8,11-13,18,21,26H,9-10,14H2,1-6H3/t18-,21-,26-/m1/s1
InChIKey	CFUSMWLLWGDBDJ-KAWPREARSA-N Google Search
Mol Weight	472.5 g/mol
Molecular Formula	C26H32O8
Exact Mass	472.209718 g/mol

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SpectraBase Spectrum ID	DRM7oxd6oPd
Name	2-[(1S,2R,3R)-2-(Acetoxymethyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indan-1-yl]ethyl acetate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	472.209717982 u
Formula	C26H32O8
InChI	InChI=1S/C26H32O8/c1-15(27)33-10-9-18-19-12-24(31-5)25(32-6)13-20(19)26(21(18)14-34-16(2)28)17-7-8-22(29-3)23(11-17)30-4/h7-8,11-13,18,21,26H,9-10,14H2,1-6H3/t18-,21-,26-/m1/s1
InChIKey	CFUSMWLLWGDBDJ-KAWPREARSA-N
Molecular Weight	472.534 g/mol
SMILES	C=12C([C@@](CCOC(=O)C)([C@]([C@@]2(C2=CC(OC)=C(C=C2)OC)[H])(COC(=O)C)[H])[H])=CC(=C(C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.888348