13-(Methoxycarbonyl)-1,2-bis(acetoxy)-4-methyl-5-oxo-8,9-epoxy-9-(acetoxymethyl)-6-oxabicyclo[3,4-b]trideca-9,11-diene

SpectraBase Compound ID	4GYXBeQkCyB
InChI	InChI=1S/C22H26O11/c1-10-15-17(31-13(4)25)16(30-12(3)24)14(21(27)28-5)7-6-8-22(9-29-11(2)23)19(33-22)18(15)32-20(10)26/h6-8,10,15-19H,9H2,1-5H3/b8-6-,14-7-/t10?,15-,16?,17+,18+,19-,22+/m1/s1
InChIKey	VRJRHLAJEPGOHZ-HLPQEIAJSA-N Google Search
Mol Weight	466.44 g/mol
Molecular Formula	C22H26O11
Exact Mass	466.147512 g/mol

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SpectraBase Spectrum ID	4EpZR1LuQya
Name	13-(Methoxycarbonyl)-1,2-bis(acetoxy)-4-methyl-5-oxo-8,9-epoxy-9-(acetoxymethyl)-6-oxabicyclo[3,4-B]trideca-9,11-diene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	466.147511646 u
Formula	C22H26O11
InChI	InChI=1S/C22H26O11/c1-10-15-17(31-13(4)25)16(30-12(3)24)14(21(27)28-5)7-6-8-22(9-29-11(2)23)19(33-22)18(15)32-20(10)26/h6-8,10,15-19H,9H2,1-5H3/b8-6-,14-7-/t10?,15-,16?,17+,18+,19-,22+/m1/s1
InChIKey	VRJRHLAJEPGOHZ-HLPQEIAJSA-N
Molecular Weight	466.439 g/mol
SMILES	[C@]12([C@]([C@@]3([C@@]([C@](OC(=O)C)(C(\C(=C\C=C/2)C(=O)OC)OC(=O)C)[H])(C(C)C(O3)=O)[H])[H])([H])O1)COC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.807789