1.0 2010-04-08 22:10:55 UTC 2019-11-26 03:09:05 UTC FDB013804 Cinncassiol A 19-glucoside Constituent of Cinnamomum subspecies Cinncassiol A 19-glucoside is found in herbs and spices. Cinncassiol A 19-glucoside Cinncassiol A 19-O-b-D-glucopyranoside Cinncassiol A 19-O-b-D-glucoside C26H40O12 544.5886 544.251976744 2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadec-3-en-14-one 2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadec-3-en-14-one 73599-12-9 CC(COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O InChI=1S/C26H40O12/c1-11-5-6-23(33)22(4)8-16(28)38-26(23,20(11)32)25(35)13(3)14(7-24(22,25)34)12(2)10-36-21-19(31)18(30)17(29)15(9-27)37-21/h11-12,15,17-21,27,29-35H,5-10H2,1-4H3 CFJQVFNNHAUXCF-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 Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Delta valerolactones Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Terpene lactones Tertiary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside Terpene lactone Tertiary alcohol logp -1.14 ALOGPS logs -1.89 ALOGPS solubility 7.00e+00 g/l ALOGPS melting_point Mp 95-99° logp -2.7 ChemAxon pka_strongest_acidic 11.72 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadec-3-en-14-one ChemAxon average_mass 544.5886 ChemAxon mono_mass 544.251976744 ChemAxon smiles CC(COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O ChemAxon formula C26H40O12 ChemAxon inchi InChI=1S/C26H40O12/c1-11-5-6-23(33)22(4)8-16(28)38-26(23,20(11)32)25(35)13(3)14(7-24(22,25)34)12(2)10-36-21-19(31)18(30)17(29)15(9-27)37-21/h11-12,15,17-21,27,29-35H,5-10H2,1-4H3 ChemAxon inchikey CFJQVFNNHAUXCF-UHFFFAOYSA-N ChemAxon polar_surface_area 206.6 ChemAxon refractivity 127.47 ChemAxon polarizability 55.09 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 130198 Specdb::NmrOneD 130199 Specdb::NmrOneD 130200 Specdb::NmrOneD 130201 Specdb::NmrOneD 130202 Specdb::NmrOneD 130203 Specdb::NmrOneD 130204 Specdb::NmrOneD 130205 Specdb::NmrOneD 130206 Specdb::NmrOneD 130207 Specdb::NmrOneD 130208 Specdb::NmrOneD 130209 Specdb::NmrOneD 130210 Specdb::NmrOneD 130211 Specdb::NmrOneD 130212 Specdb::NmrOneD 130213 Specdb::NmrOneD 130214 Specdb::NmrOneD 130215 Specdb::NmrOneD 130216 Specdb::NmrOneD 130217 Specdb::MsMs 66663 Specdb::MsMs 66664 Specdb::MsMs 66665 Specdb::MsMs 124275 Specdb::MsMs 124276 Specdb::MsMs 124277 Specdb::MsMs 2458655 Specdb::MsMs 2458656 Specdb::MsMs 2458657 Specdb::MsMs 2476586 Specdb::MsMs 2476587 Specdb::MsMs 2476588 Specdb::CMs 14278 Specdb::CMs 44228 Specdb::CMs 281573 Specdb::CMs 290536 Specdb::CMs 290537 Specdb::CMs 290538 Specdb::CMs 290539 Specdb::CMs 290540 Specdb::CMs 290541 Specdb::CMs 290542 Specdb::CMs 290543 Specdb::CMs 290544 Specdb::CMs 290545 Specdb::CMs 290546 Specdb::CMs 290547 Specdb::CMs 290548 Specdb::CMs 290549 Specdb::CMs 290550 Specdb::CMs 290551 Specdb::CMs 290552 Specdb::CMs 290553 Specdb::CMs 290554 Specdb::CMs 290555 Specdb::CMs 290556 Specdb::CMs 290557 HMDB35165 #<Reference:0x000055ce3231fcf8> Herbs and Spices Unknown generic