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Poliothyrsoside. pentaacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

Poliothyrsoside. pentaacetate
SpectraBase Compound ID L7qsfBJPV8d
InChI InChI=1S/C30H32O14/c1-16(31)37-14-22-13-23(39-17(2)32)11-12-24(22)43-30-28(42-20(5)35)27(41-19(4)34)26(40-18(3)33)25(44-30)15-38-29(36)21-9-7-6-8-10-21/h6-13,25-28,30H,14-15H2,1-5H3/t25-,26-,27+,28-,30-/m1/s1
InChIKey ISXNTLRIVADOQY-OVFYEYCDSA-N
Mol Weight 616.6 g/mol
Molecular Formula C30H32O14
Exact Mass 616.179206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FUkcAHiZNz
Name Poliothyrsoside. pentaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.179205696 u
Formula C30H32O14
InChI InChI=1S/C30H32O14/c1-16(31)37-14-22-13-23(39-17(2)32)11-12-24(22)43-30-28(42-20(5)35)27(41-19(4)34)26(40-18(3)33)25(44-30)15-38-29(36)21-9-7-6-8-10-21/h6-13,25-28,30H,14-15H2,1-5H3/t25-,26-,27+,28-,30-/m1/s1
InChIKey ISXNTLRIVADOQY-OVFYEYCDSA-N
Molecular Weight 616.572 g/mol
SMILES [C@@]1(OC=2C=CC(OC(=O)C)=CC2COC(=O)C)([C@@]([C@]([C@@]([C@](O1)(COC(C1=CC=CC=C1)=O)[H])(OC(C)=O)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]