1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:40 UTC FDB012379 9-O-Methylglyceofuran From Glycine max (soy bean). 9-O-Methylglyceofuran is found in soy bean and pulses. 9-O-Methylglyceofuran C21H20O6 368.3799 368.125988372 6-(2-hydroxypropan-2-yl)-17-methoxy-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaen-13-ol 6-(2-hydroxypropan-2-yl)-17-methoxy-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaen-13-ol 78876-29-6 COC1=CC2=C(C=C1)C1(O)COC3=C(C=C4C=C(OC4=C3)C(C)(C)O)C1O2 InChI=1S/C21H20O6/c1-20(2,22)18-7-11-6-13-16(9-15(11)26-18)25-10-21(23)14-5-4-12(24-3)8-17(14)27-19(13)21/h4-9,19,22-23H,10H2,1-3H3 XRYDGCQYNMEJEL-UHFFFAOYSA-N belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Pterocarpans Organic compounds Phenylpropanoids and polyketides Isoflavonoids Furanoisoflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Anisoles Aromatic alcohols Benzofurans Coumarans Furans Heteroaromatic compounds Hydrocarbon derivatives Isoflavanols Oxacyclic compounds Tertiary alcohols 1-benzopyran Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Chromane Coumaran Ether Furan Heteroaromatic compound Hydrocarbon derivative Isoflavan Isoflavanol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pterocarpan Tertiary alcohol Pterocarpans logp 2.80 ALOGPS logs -3.60 ALOGPS solubility 9.35e-02 g/l ALOGPS logp 2.17 ChemAxon pka_strongest_acidic 11.99 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 6-(2-hydroxypropan-2-yl)-17-methoxy-7,11,20-trioxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-2(10),3,5,8,14(19),15,17-heptaen-13-ol ChemAxon average_mass 368.3799 ChemAxon mono_mass 368.125988372 ChemAxon smiles COC1=CC2=C(C=C1)C1(O)COC3=C(C=C4C=C(OC4=C3)C(C)(C)O)C1O2 ChemAxon formula C21H20O6 ChemAxon inchi InChI=1S/C21H20O6/c1-20(2,22)18-7-11-6-13-16(9-15(11)26-18)25-10-21(23)14-5-4-12(24-3)8-17(14)27-19(13)21/h4-9,19,22-23H,10H2,1-3H3 ChemAxon inchikey XRYDGCQYNMEJEL-UHFFFAOYSA-N ChemAxon polar_surface_area 81.29 ChemAxon refractivity 96.76 ChemAxon polarizability 39.52 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18159 Specdb::CMs 43715 Specdb::CMs 131164 Specdb::CMs 138898 Specdb::MsMs 12221 Specdb::MsMs 12222 Specdb::MsMs 12223 Specdb::MsMs 18893 Specdb::MsMs 18894 Specdb::MsMs 18895 Specdb::MsMs 2377196 Specdb::MsMs 2377197 Specdb::MsMs 2377198 Specdb::MsMs 2561445 Specdb::MsMs 2561446 Specdb::MsMs 2561447 HMDB34112 #<Reference:0x000055ce31ee6e98> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847