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Torachrysone 8-glucoside, pentamethyl ether

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Torachrysone 8-glucoside, pentamethyl ether
SpectraBase Compound ID 6P3Gba6BYs6
InChI InChI=1S/C25H34O9/c1-13-9-15-10-16(28-4)11-17(20(15)22(30-6)19(13)14(2)26)33-25-24(32-8)23(31-7)21(29-5)18(34-25)12-27-3/h9-11,18,21,23-25H,12H2,1-8H3/t18-,21-,23+,24-,25-/m1/s1
InChIKey FYZPDIXOMWPEII-OETYDFCKSA-N
Mol Weight 478.5 g/mol
Molecular Formula C25H34O9
Exact Mass 478.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0pHDfKzLBQ
Name Torachrysone 8-glucoside, pentamethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.220282666 u
Formula C25H34O9
InChI InChI=1S/C25H34O9/c1-13-9-15-10-16(28-4)11-17(20(15)22(30-6)19(13)14(2)26)33-25-24(32-8)23(31-7)21(29-5)18(34-25)12-27-3/h9-11,18,21,23-25H,12H2,1-8H3/t18-,21-,23+,24-,25-/m1/s1
InChIKey FYZPDIXOMWPEII-OETYDFCKSA-N
Molecular Weight 478.538 g/mol
SMILES C1=C(C=C2C=C(C(=C(C2=C1O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])OC)C(C)=O)C)OC