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1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-(.beta.-D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-methoxy-1-methyl-, methyl ester, (1R,4as,8S,8as)-, 4ac derivative

View entire compound with spectra: 1 FTIR

1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-(.beta.-D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-methoxy-1-methyl-, methyl ester, (1R,4as,8S,8as)-, 4ac derivative
SpectraBase Compound ID DJl57rqEcFI
InChI InChI=1S/C26H36O15/c1-11-20-16(8-19(32-6)36-11)17(24(31)33-7)9-35-25(20)41-26-23(39-15(5)30)22(38-14(4)29)21(37-13(3)28)18(40-26)10-34-12(2)27/h9,11,16,18-23,25-26H,8,10H2,1-7H3/t11-,16-,18-,19?,20-,21-,22+,23-,25+,26+/m1/s1
InChIKey WJOIPBWAIISUMX-QAMURJBBSA-N
Mol Weight 588.6 g/mol
Molecular Formula C26H36O15
Exact Mass 588.20542 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fy9LeZogqxD
Name 1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-(.beta.-D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-methoxy-1-methyl-, methyl ester, (1R,4as,8S,8as)-, 4ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 588.205420444 u
Formula C26H36O15
InChI InChI=1S/C26H36O15/c1-11-20-16(8-19(32-6)36-11)17(24(31)33-7)9-35-25(20)41-26-23(39-15(5)30)22(38-14(4)29)21(37-13(3)28)18(40-26)10-34-12(2)27/h9,11,16,18-23,25-26H,8,10H2,1-7H3/t11-,16-,18-,19?,20-,21-,22+,23-,25+,26+/m1/s1
InChIKey WJOIPBWAIISUMX-QAMURJBBSA-N
Molecular Weight 588.559 g/mol
SMILES [C@@]1([C@@]2([C@](CC(O1)OC)(C(=CO[C@]2(O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H])[H])C(=O)OC)[H])[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894039