1.0 2010-04-08 22:14:23 UTC 2025-11-19 02:19:55 UTC FDB019476 O-Acetylcyclocalopin A Major bitter principle from Boletus calopus and other Boletus subspecies O-Acetylcyclocalopin A is found in mushrooms. O-Acetylcyclocalopin A C17H22O7 338.3524 338.136553058 2'-hydroxy-2',4,4'-trimethyl-5,7'-dioxo-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-en-6-yl acetate 2'-hydroxy-2',4,4'-trimethyl-5,7'-dioxo-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-en-6-yl acetate CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3OC(C)=O)C12 InChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3 RFOIMKJJHPMORA-UHFFFAOYSA-N belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Furopyrans Organic compounds Organoheterocyclic compounds Furopyrans Aliphatic heteropolycyclic compounds Alpha-acyloxy ketones Carboxylic acid esters Cyclohexenones Delta valerolactones Dicarboxylic acids and derivatives Furans Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Pyrans Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha-acyloxy ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Cyclohexenone Delta valerolactone Delta_valerolactone Dicarboxylic acid or derivatives Furan Furopyran Hemiacetal Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Pyran Tetrahydrofuran logp 0.44 ALOGPS logs -1.95 ALOGPS solubility 3.76e+00 g/l ALOGPS melting_point Mp 190° logp 1.06 ChemAxon pka_strongest_acidic 11.72 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2'-hydroxy-2',4,4'-trimethyl-5,7'-dioxo-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-en-6-yl acetate ChemAxon average_mass 338.3524 ChemAxon mono_mass 338.136553058 ChemAxon smiles CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3OC(C)=O)C12 ChemAxon formula C17H22O7 ChemAxon inchi InChI=1S/C17H22O7/c1-8-5-6-17(14(12(8)19)23-10(3)18)11-9(2)7-22-15(20)13(11)24-16(17,4)21/h5,9,11,13-14,21H,6-7H2,1-4H3 ChemAxon inchikey RFOIMKJJHPMORA-UHFFFAOYSA-N ChemAxon polar_surface_area 99.13 ChemAxon refractivity 81.87 ChemAxon polarizability 33.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13418 Specdb::CMs 46586 Specdb::CMs 131891 Specdb::CMs 139625 Specdb::NmrOneD 36222 Specdb::NmrOneD 36223 Specdb::NmrOneD 36224 Specdb::NmrOneD 36225 Specdb::NmrOneD 36226 Specdb::NmrOneD 36227 Specdb::NmrOneD 36228 Specdb::NmrOneD 36229 Specdb::NmrOneD 36230 Specdb::NmrOneD 36231 Specdb::NmrOneD 36232 Specdb::NmrOneD 36233 Specdb::NmrOneD 36234 Specdb::NmrOneD 36235 Specdb::NmrOneD 36236 Specdb::NmrOneD 36237 Specdb::NmrOneD 36238 Specdb::NmrOneD 36239 Specdb::NmrOneD 36240 Specdb::NmrOneD 36241 Specdb::MsMs 10175 Specdb::MsMs 10176 Specdb::MsMs 10177 Specdb::MsMs 16847 Specdb::MsMs 16848 Specdb::MsMs 16849 Specdb::MsMs 2291199 Specdb::MsMs 2291200 Specdb::MsMs 2291201 Specdb::MsMs 2643549 Specdb::MsMs 2643550 Specdb::MsMs 2643551 HMDB39824 #<Reference:0x000055ce31e3dfc8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322