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(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-2,3,4,6-tetra-O-acetyl-b-d-glucopyranoside

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(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-2,3,4,6-tetra-O-acetyl-b-d-glucopyranoside
SpectraBase Compound ID 40awX6JCRCD
InChI InChI=1S/C29H44O10/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-34-29-28(38-24(8)33)27(37-23(7)32)26(36-22(6)31)25(39-29)17-35-21(5)30/h11,13,15,25-29H,9-10,12,14,16-17H2,1-8H3/b19-13-,20-15+/t25-,26+,27-,28-,29+/m0/s1
InChIKey ACDMXVKTLNFJJL-ITGIYEIESA-N
Mol Weight 552.7 g/mol
Molecular Formula C29H44O10
Exact Mass 552.293448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuHOf9V9rA6
Name (3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-2,3,4,6-tetra-o-acetyl-B-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.293447607 u
Formula C29H44O10
InChI InChI=1S/C29H44O10/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-34-29-28(38-24(8)33)27(37-23(7)32)26(36-22(6)31)25(39-29)17-35-21(5)30/h11,13,15,25-29H,9-10,12,14,16-17H2,1-8H3/b19-13-,20-15+/t25-,26+,27-,28-,29+/m0/s1
InChIKey ACDMXVKTLNFJJL-ITGIYEIESA-N
Molecular Weight 552.661 g/mol
SMILES [C@@]1([C@@](O[C@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC\C=C\(CC\C=C/(CCC=C(C)C)C)C)[H])(COC(=O)C)[H])(OC(C)=O)[H]