1.0 2010-04-08 22:14:22 UTC 2025-11-19 02:19:51 UTC FDB019463 Cyclocalopin D Isolated from Boletus calopus and other Boletus subspecies Cyclocalopin D is found in mushrooms. C23H32O13 516.4924 516.18429111 (14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetate (14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetate CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(OC1OC(CO)C(O)C(O)C1O)=C4COC(C)=O InChI=1S/C23H32O13/c1-8-6-32-20(30)18-13(8)23-4-11(35-22(23,3)36-18)10(7-31-9(2)25)17(19(23)29)34-21-16(28)15(27)14(26)12(5-24)33-21/h8,11-16,18-19,21,24,26-29H,4-7H2,1-3H3 PDSOUSYYTLHECG-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Delta valerolactones Dicarboxylic acids and derivatives Furans Furofurans Furopyrans Hexoses Hydrocarbon derivatives Ketals Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrans Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Furan Furofuran Furopyran Hexose monosaccharide Hydrocarbon derivative Ketal Lactone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Pyran Secondary alcohol Tetrahydrofuran logp -1.08 ALOGPS logs -1.52 ALOGPS solubility 1.56e+01 g/l ALOGPS melting_point Mp 110° logp -3 ChemAxon pka_strongest_acidic 12.16 ChemAxon pka_strongest_basic -3 ChemAxon iupac (14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetate ChemAxon average_mass 516.4924 ChemAxon mono_mass 516.18429111 ChemAxon smiles CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(OC1OC(CO)C(O)C(O)C1O)=C4COC(C)=O ChemAxon formula C23H32O13 ChemAxon inchi InChI=1S/C23H32O13/c1-8-6-32-20(30)18-13(8)23-4-11(35-22(23,3)36-18)10(7-31-9(2)25)17(19(23)29)34-21-16(28)15(27)14(26)12(5-24)33-21/h8,11-16,18-19,21,24,26-29H,4-7H2,1-3H3 ChemAxon inchikey PDSOUSYYTLHECG-UHFFFAOYSA-N ChemAxon polar_surface_area 190.67 ChemAxon refractivity 115.28 ChemAxon polarizability 49.84 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92460 Specdb::MsMs 92461 Specdb::MsMs 92462 Specdb::MsMs 156084 Specdb::MsMs 156085 Specdb::MsMs 156086 Specdb::MsMs 2292510 Specdb::MsMs 2292511 Specdb::MsMs 2292512 Specdb::MsMs 2646672 Specdb::MsMs 2646673 Specdb::MsMs 2646674 Specdb::CMs 15253 Specdb::CMs 46580 Specdb::CMs 178143 Specdb::CMs 280881 Specdb::NmrOneD 36102 Specdb::NmrOneD 36103 Specdb::NmrOneD 36104 Specdb::NmrOneD 36105 Specdb::NmrOneD 36106 Specdb::NmrOneD 36107 Specdb::NmrOneD 36108 Specdb::NmrOneD 36109 Specdb::NmrOneD 36110 Specdb::NmrOneD 36111 Specdb::NmrOneD 36112 Specdb::NmrOneD 36113 Specdb::NmrOneD 36114 Specdb::NmrOneD 36115 Specdb::NmrOneD 36116 Specdb::NmrOneD 36117 Specdb::NmrOneD 36118 Specdb::NmrOneD 36119 Specdb::NmrOneD 36120 Specdb::NmrOneD 36121 HMDB39813 #<Reference:0x000055ce32014270> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322