1.0 2010-04-08 22:04:33 UTC 2019-11-26 02:54:42 UTC FDB000381 (3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol obtained from roots of Stenocereus thurberi (organ pipe cactus). (3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol is found in fruits. Peniocerol C27H46O2 402.6529 402.349780716 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-5,8-diol 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-5,8-diol 570-92-3 CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3 InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-19,21-22,24-25,28-29H,6-16H2,1-5H3 MPCLLXXLNXORCU-UHFFFAOYSA-N belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. Tropane alkaloids Organic compounds Alkaloids and derivatives Tropane alkaloids Aliphatic heteropolycyclic compounds 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Carbonyl compounds Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives N-alkylpyrrolidines Organic oxides Organopnictogen compounds Piperidines Secondary alcohols Trialkylamines 1,2-aminoalcohol Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Pyrrolidine Secondary alcohol Tertiary aliphatic amine Tertiary amine Tropane alkaloid logp 5.69 ALOGPS logs -5.08 ALOGPS solubility 3.32e-03 g/l ALOGPS melting_point Mp 181-183° logp 5.76 ChemAxon pka_strongest_acidic 14.7 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-5,8-diol ChemAxon average_mass 402.6529 ChemAxon mono_mass 402.349780716 ChemAxon smiles CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C1(C)CCC(O)CC1C(O)C3 ChemAxon formula C27H46O2 ChemAxon inchi InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-19,21-22,24-25,28-29H,6-16H2,1-5H3 ChemAxon inchikey MPCLLXXLNXORCU-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 121.94 ChemAxon polarizability 51.15 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21535 Specdb::CMs 41274 Specdb::CMs 136389 Specdb::CMs 144123 Specdb::MsMs 93546 Specdb::MsMs 93547 Specdb::MsMs 93548 Specdb::MsMs 157329 Specdb::MsMs 157330 Specdb::MsMs 157331 Specdb::MsMs 2662237 Specdb::MsMs 2662238 Specdb::MsMs 2662239 Specdb::MsMs 3020508 Specdb::MsMs 3020509 Specdb::MsMs 3020510 HMDB29320 #<Reference:0x0000561271e97968> Fruits Unknown generic