1.0 2010-04-08 22:10:55 UTC 2019-11-26 03:09:05 UTC FDB013806 Cinncassiol C1 19-glucoside Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C1 19-glucoside is found in herbs and spices. Cinncassiol C1 19-glucoside Cinncassiol C1 19-O-b-D-glucopyranoside Cinncassiol C1 19-O-b-D-glucoside C26H38O12 542.5727 542.23632668 2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione 2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione 617-45-8 CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C InChI=1S/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3 UUAKLIKPAJSLHI-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 Aliphatic heteropolycyclic compounds Acetals Cyclic alcohols and derivatives Furanones Hemiacetals Hexoses Hydrocarbon derivatives Ketones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Tetrahydrofurans 3-furanone Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Glycosyl compound Hemiacetal Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside Tertiary alcohol Tetrahydrofuran logp -0.71 ALOGPS logs -1.88 ALOGPS solubility 7.20e+00 g/l ALOGPS logp -0.92 ChemAxon pka_strongest_acidic 11.29 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,6,9-trihydroxy-1,5,10-trimethyl-11-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione ChemAxon average_mass 542.5727 ChemAxon mono_mass 542.23632668 ChemAxon smiles CC(COC1OC(CO)C(O)C(O)C1O)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C ChemAxon formula C26H38O12 ChemAxon inchi InChI=1S/C26H38O12/c1-11-5-6-24(34)22(3)10-25(35)23(4,21(33)26(24,38-25)19(11)32)13(7-15(22)28)12(2)9-36-20-18(31)17(30)16(29)14(8-27)37-20/h7,11-12,14,16-20,27,29-32,34-35H,5-6,8-10H2,1-4H3 ChemAxon inchikey UUAKLIKPAJSLHI-UHFFFAOYSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 127.94 ChemAxon polarizability 54.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 130238 Specdb::NmrOneD 130239 Specdb::NmrOneD 130240 Specdb::NmrOneD 130241 Specdb::NmrOneD 130242 Specdb::NmrOneD 130243 Specdb::NmrOneD 130244 Specdb::NmrOneD 130245 Specdb::NmrOneD 130246 Specdb::NmrOneD 130247 Specdb::NmrOneD 130248 Specdb::NmrOneD 130249 Specdb::NmrOneD 130250 Specdb::NmrOneD 130251 Specdb::NmrOneD 130252 Specdb::NmrOneD 130253 Specdb::NmrOneD 130254 Specdb::NmrOneD 130255 Specdb::NmrOneD 130256 Specdb::NmrOneD 130257 Specdb::MsMs 56919 Specdb::MsMs 56920 Specdb::MsMs 56921 Specdb::MsMs 112455 Specdb::MsMs 112456 Specdb::MsMs 112457 Specdb::MsMs 2289369 Specdb::MsMs 2289370 Specdb::MsMs 2289371 Specdb::MsMs 2650169 Specdb::MsMs 2650170 Specdb::MsMs 2650171 Specdb::CMs 26179 Specdb::CMs 44230 Specdb::CMs 270464 Specdb::CMs 270465 Specdb::CMs 270466 Specdb::CMs 270467 Specdb::CMs 270468 Specdb::CMs 270469 Specdb::CMs 270470 Specdb::CMs 270471 Specdb::CMs 270472 Specdb::CMs 270473 Specdb::CMs 270474 Specdb::CMs 270475 Specdb::CMs 270476 Specdb::CMs 270477 Specdb::CMs 270478 Specdb::CMs 270479 Specdb::CMs 270480 Specdb::CMs 270481 Specdb::CMs 270482 Specdb::CMs 270483 Specdb::CMs 270484 Specdb::CMs 270485 Specdb::CMs 270486 HMDB35167 #<Reference:0x000055ce315eb0a0> Herbs and Spices Unknown generic