1.0 2010-04-08 22:15:39 UTC 2019-11-26 03:20:18 UTC FDB021381 Gymnodimine Isolated from New Zealand oysters (Tiostrea chilensis) and the dinoflagellate Gymnodinium cf. mikimotoi. Gymnodimine is found in mollusks. C32H45NO4 507.704 507.334858933 (5S)-5-[(1R,2E,11R,16S,17E,19S,22R,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.0^{6,11}.0^{11,16}]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyl-2,5-dihydrofuran-2-one (5S)-5-[(1R,2E,11R,16S,17E,19S,22R,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.0^{6,11}.0^{11,16}]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyl-5H-furan-2-one 173792-58-0 [H][C@@]12C[C@@H](C)[C@@]([H])(O1)\C(C)=C\CCC1=NCCC[C@@]11CCC([C@H]3OC(=O)C(C)=C3)=C(C)[C@]1([H])\C=C(C)\[C@@H](O)CC2 InChI=1S/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30+,32+/m1/s1 DVXZVCNEGRKLMW-RPGUUIFVSA-N belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. Tetrahydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aliphatic heteropolycyclic compounds Azacyclic compounds Butenolides Carbonyl compounds Dialkyl ethers Enoate esters Hydrocarbon derivatives Ketimines Lactones Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Tetrahydrofurans 2-furanone Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Hydrocarbon derivative Imine Ketimine Lactone Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Propargyl-type 1,3-dipolar organic compound Secondary alcohol Tetrahydrofuran Tetrahydropyridine logp 5.35 ALOGPS logs -5.34 ALOGPS solubility 2.32e-03 g/l ALOGPS logp 5.75 ChemAxon pka_strongest_acidic 13.67 ChemAxon pka_strongest_basic 8.69 ChemAxon iupac (5S)-5-[(1R,2E,11R,16S,17E,19S,22R,24R)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.0^{6,11}.0^{11,16}]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 507.704 ChemAxon mono_mass 507.334858933 ChemAxon smiles [H][C@@]12C[C@@H](C)[C@@]([H])(O1)\C(C)=C\CCC1=NCCC[C@@]11CCC([C@H]3OC(=O)C(C)=C3)=C(C)[C@]1([H])\C=C(C)\[C@@H](O)CC2 ChemAxon formula C32H45NO4 ChemAxon inchi InChI=1S/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+/t21-,24-,26+,27+,28+,30+,32+/m1/s1 ChemAxon inchikey DVXZVCNEGRKLMW-RPGUUIFVSA-N ChemAxon polar_surface_area 68.12 ChemAxon refractivity 150.03 ChemAxon polarizability 58.86 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon HMDB41430 #<Reference:0x000055ce31cfca88> Mollusks Unknown generic 6447