1.0 2010-04-08 22:09:15 UTC 2025-11-18 23:21:36 UTC FDB010704 Di-O-methylcrenatin Constituent of fennel (Foeniculum vulgare). Di-O-methylcrenatin is found in herbs and spices. Di-O-methylcrenatin C15H22O9 346.3298 346.126382302 2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol 2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol 64121-98-8 COC1=CC(CO)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3 RWIINOLFQCPJMH-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Aromatic alcohols Benzyl alcohols Dimethoxybenzenes Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic heteromonocyclic compound Benzenoid Benzyl alcohol Dimethoxybenzene Ether Hydrocarbon derivative M-dimethoxybenzene Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.92 ALOGPS logs -1.48 ALOGPS solubility 1.14e+01 g/l ALOGPS melting_point Mp 175-177° (164-165°) logp -1.7 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol ChemAxon average_mass 346.3298 ChemAxon mono_mass 346.126382302 ChemAxon smiles COC1=CC(CO)=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C15H22O9 ChemAxon inchi InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3 ChemAxon inchikey RWIINOLFQCPJMH-UHFFFAOYSA-N ChemAxon polar_surface_area 138.07 ChemAxon refractivity 79.93 ChemAxon polarizability 34.01 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11207 Specdb::CMs 42943 Specdb::CMs 134121 Specdb::CMs 141855 Specdb::MsMs 67053 Specdb::MsMs 67054 Specdb::MsMs 67055 Specdb::MsMs 124779 Specdb::MsMs 124780 Specdb::MsMs 124781 Specdb::MsMs 2690369 Specdb::MsMs 2690370 Specdb::MsMs 2690371 Specdb::MsMs 2988284 Specdb::MsMs 2988285 Specdb::MsMs 2988286 Specdb::NmrOneD 114758 Specdb::NmrOneD 114759 Specdb::NmrOneD 114760 Specdb::NmrOneD 114761 Specdb::NmrOneD 114762 Specdb::NmrOneD 114763 Specdb::NmrOneD 114764 Specdb::NmrOneD 114765 Specdb::NmrOneD 114766 Specdb::NmrOneD 114767 Specdb::NmrOneD 114768 Specdb::NmrOneD 114769 Specdb::NmrOneD 114770 Specdb::NmrOneD 114771 Specdb::NmrOneD 114772 Specdb::NmrOneD 114773 Specdb::NmrOneD 114774 Specdb::NmrOneD 114775 Specdb::NmrOneD 114776 Specdb::NmrOneD 114777 HMDB32742 #<Reference:0x00007f093c0e9790> Herbs and Spices Unknown generic