1.0 2010-04-08 22:14:00 UTC 2019-11-26 03:16:52 UTC FDB018895 Ichangin 4-glucoside Isolated from Citrus limon (lemon). Ichangin 4-glucoside is found in lemon and citrus. Ichangin 4-glucoside Ichangin 4-O-b-D-glucopyranoside Ichangin 4-O-b-D-glucoside C32H42O14 650.6675 650.257456052 11'-(furan-3-yl)-5'-(2-hydroxypropan-2-yl)-2',10'-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12',15'-dioxaspiro[oxane-3,6'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecane]-3',6,13'-trione 11'-(furan-3-yl)-5'-(2-hydroxypropan-2-yl)-2',10'-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12',15'-dioxaspiro[oxane-3,6'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecane]-3',6,13'-trione 617-45-8 CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(OC(=O)C4OC234)C2=COC=C2)C11COC(=O)CC1OC1OC(CO)C(O)C(O)C1O InChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3 MUZOGCSYWJPGRB-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aromatic heteropolycyclic compounds 1,4-dioxepanes Acetals Carboxylic acid esters Delta valerolactones Dialkyl ethers Dicarboxylic acids and derivatives Epoxides Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Monosaccharides Naphthalenes Naphthopyrans O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Sesquiterpenoids Terpene lactones Tertiary alcohols 1,4-dioxepane Acetal Alcohol Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Dialkyl ether Dicarboxylic acid or derivatives Dioxepane Ether Furan Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Monosaccharide Naphthalene Naphthopyran O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Polyol Primary alcohol Pyran Secondary alcohol Sesquiterpenoid Terpene glycoside Terpene lactone Tertiary alcohol logp 0.52 ALOGPS logs -2.51 ALOGPS solubility 2.00e+00 g/l ALOGPS melting_point Mp 268-270° dec. logp -0.48 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 11'-(furan-3-yl)-5'-(2-hydroxypropan-2-yl)-2',10'-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12',15'-dioxaspiro[oxane-3,6'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecane]-3',6,13'-trione ChemAxon average_mass 650.6675 ChemAxon mono_mass 650.257456052 ChemAxon smiles CC(C)(O)C1CC(=O)C2(C)C(CCC3(C)C(OC(=O)C4OC234)C2=COC=C2)C11COC(=O)CC1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C32H42O14 ChemAxon inchi InChI=1S/C32H42O14/c1-28(2,40)17-9-18(34)30(4)16(5-7-29(3)24(14-6-8-41-12-14)45-26(39)25-32(29,30)46-25)31(17)13-42-20(35)10-19(31)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38,40H,5,7,9-11,13H2,1-4H3 ChemAxon inchikey MUZOGCSYWJPGRB-UHFFFAOYSA-N ChemAxon polar_surface_area 214.95 ChemAxon refractivity 150.64 ChemAxon polarizability 64.42 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92238 Specdb::MsMs 92239 Specdb::MsMs 92240 Specdb::MsMs 155826 Specdb::MsMs 155827 Specdb::MsMs 155828 Specdb::MsMs 3040951 Specdb::MsMs 3040952 Specdb::MsMs 3040953 Specdb::MsMs 3102050 Specdb::MsMs 3102051 Specdb::MsMs 3102052 Specdb::CMs 65070 Specdb::CMs 643793 Specdb::CMs 643794 Specdb::CMs 643795 Specdb::CMs 643796 Specdb::CMs 643797 Specdb::CMs 643798 Specdb::CMs 643799 Specdb::CMs 643800 Specdb::CMs 643801 Specdb::CMs 643802 Specdb::CMs 643803 Specdb::CMs 643804 Specdb::CMs 643805 Specdb::CMs 643806 Specdb::CMs 643807 Specdb::CMs 643808 Specdb::CMs 643809 Specdb::CMs 643810 Specdb::CMs 643811 Specdb::CMs 643812 Specdb::CMs 643813 Specdb::CMs 643814 Specdb::CMs 643815 Specdb::CMs 643816 Specdb::NmrOneD 32402 Specdb::NmrOneD 32403 Specdb::NmrOneD 32404 Specdb::NmrOneD 32405 Specdb::NmrOneD 32406 Specdb::NmrOneD 32407 Specdb::NmrOneD 32408 Specdb::NmrOneD 32409 Specdb::NmrOneD 32410 Specdb::NmrOneD 32411 Specdb::NmrOneD 32412 Specdb::NmrOneD 32413 Specdb::NmrOneD 32414 Specdb::NmrOneD 32415 Specdb::NmrOneD 32416 Specdb::NmrOneD 32417 Specdb::NmrOneD 32418 Specdb::NmrOneD 32419 Specdb::NmrOneD 32420 Specdb::NmrOneD 32421 HMDB39340 #<Reference:0x000055ce3198dcd0> Citrus Unknown generic Lemon Type 1 specific Citrus limon 2708