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

View entire compound with spectra: 1 NMR

1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-( .beta. -D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-ethoxy-1-methyl-, methyl ester, 4ac derivative
SpectraBase Compound ID DrHap3EjB1h
InChI InChI=1S/C27H38O15/c1-8-34-20-9-17-18(25(32)33-7)10-36-26(21(17)12(2)37-20)42-27-24(40-16(6)31)23(39-15(5)30)22(38-14(4)29)19(41-27)11-35-13(3)28/h10,12,17,19-24,26-27H,8-9,11H2,1-7H3/t12?,17?,19-,20?,21?,22-,23+,24-,26?,27+/m1/s1
InChIKey FPKCLPHEKKZKRQ-XLCZORIASA-N
Mol Weight 602.6 g/mol
Molecular Formula C27H38O15
Exact Mass 602.221071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CM4F57XR80
Name 1H,3H-Pyrano[3,4-C]pyran-5-carboxylic acid, 8-( .beta. -D-glucopyranosyloxy)-4,4A,8,8A-tetrahydro-3-ethoxy-1-methyl-, methyl ester, 4ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 602.221070509 u
Formula C27H38O15
InChI InChI=1S/C27H38O15/c1-8-34-20-9-17-18(25(32)33-7)10-36-26(21(17)12(2)37-20)42-27-24(40-16(6)31)23(39-15(5)30)22(38-14(4)29)19(41-27)11-35-13(3)28/h10,12,17,19-24,26-27H,8-9,11H2,1-7H3/t12?,17?,19-,20?,21?,22-,23+,24-,26?,27+/m1/s1
InChIKey FPKCLPHEKKZKRQ-XLCZORIASA-N
Molecular Weight 602.586 g/mol
SMILES C1(C2C(CC(O1)OCC)C(=COC2O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H])C(=O)OC)C