[6-[[6-[4,5-Dihydroxy-3-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]-3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl] 10-[6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Grundinformationen

Standard-SMILES: C=CC(C)(O)CCC=C(C)C(=O)OC1C(OC(C)(C=C)CCC=C(C)C(=O)OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(OC(=O)C(C)=CCCC(C)(O)C=C)C2O)OCC(O)C1O
InChIKey: AVGVKJXFIGPELA-UHFFFAOYSA-N
Summenformel: C103H160O43
Durchschnittliche Molmasse: 2.086,3 g/mol
Monoisotopische Masse: 2.085,03333378

Bevorzugter Name: [6-[[6-[4,5-Dihydroxy-3-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]-3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl] 10-[6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC: [6-[[6-[4,5-dihydroxy-3-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]-3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl] 10-[6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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Standard-SMILES: C=CC(C)(O)CCC=C(C)C(=O)OC1C(OC(C)(C=C)CCC=C(C)C(=O)OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(COC8OCC(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C(OC(=O)C(C)=CCCC(C)(O)C=C)C2O)OCC(O)C1O
InChIKey: AVGVKJXFIGPELA-UHFFFAOYSA-N
Summenformel: C103H160O43
Durchschnittliche Molmasse: 2.086,3 g/mol
Monoisotopische Masse: 2.085,03333378

Bevorzugter Name: [6-[[6-[4,5-Dihydroxy-3-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]-3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl] 10-[6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
IUPAC: [6-[[6-[4,5-dihydroxy-3-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]-3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxyoxan-2-yl] 10-[6-[[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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