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Cyclopenta[C]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1S)- , pentaacetate

View entire compound with spectra: 1 FTIR

Cyclopenta[C]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1S)- , pentaacetate
SpectraBase Compound ID FLgiEM144Bi
InChI InChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3/t11?,17?,19?,20-,21?,22-,23+,24-,26+,27+/m1/s1
InChIKey AEJMLRVPTZEQEF-SVMCEXHISA-N
Mol Weight 600.6 g/mol
Molecular Formula C27H36O15
Exact Mass 600.20542 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID lqBTuG76BF
Name Cyclopenta[C]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-6-hydroxy-7-methyl-, methyl ester, (1S)- , pentaacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.205420444 u
Formula C27H36O15
InChI InChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3/t11?,17?,19?,20-,21?,22-,23+,24-,26+,27+/m1/s1
InChIKey AEJMLRVPTZEQEF-SVMCEXHISA-N
Molecular Weight 600.570 g/mol
SMILES [C@]1(C2C(C(=CO1)C(=O)OC)CC(C2C)OC(C)=O)(O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882102