1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:16 UTC FDB018517 Unknown 370 Isolated from the avocado fruit (Persea americana). Unknown 370 is found in fruits. Unknown 370 C27H40O3 412.6047 412.297745146 (6Z)-6-[(3E,5E,7E,9E,11E)-2-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11,14-hexaen-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol (6Z)-6-[(3E,5E,7E,9E,11E)-2-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11,14-hexaen-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol 53905-14-9 C\C(CC=C)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)\C=C1\C(C)(C)CC(O)CC1(C)O InChI=1S/C27H40O3/c1-8-12-20(2)13-9-10-14-21(3)15-11-16-22(4)24(29)17-25-26(5,6)18-23(28)19-27(25,7)30/h8-11,13-17,23-24,28-30H,1,12,18-19H2,2-7H3/b10-9+,15-11+,20-13+,21-14+,22-16+,25-17- JPXAXNVNJAVGLE-RNEGWMEASA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic homomonocyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Long-chain fatty alcohols Secondary alcohols Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Secondary alcohol Sesterterpenoid Tertiary alcohol logp 5.61 ALOGPS logs -4.67 ALOGPS solubility 8.92e-03 g/l ALOGPS logp 4.49 ChemAxon pka_strongest_acidic 13.94 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (6Z)-6-[(3E,5E,7E,9E,11E)-2-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11,14-hexaen-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol ChemAxon average_mass 412.6047 ChemAxon mono_mass 412.297745146 ChemAxon smiles C\C(CC=C)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)\C=C1\C(C)(C)CC(O)CC1(C)O ChemAxon formula C27H40O3 ChemAxon inchi InChI=1S/C27H40O3/c1-8-12-20(2)13-9-10-14-21(3)15-11-16-22(4)24(29)17-25-26(5,6)18-23(28)19-27(25,7)30/h8-11,13-17,23-24,28-30H,1,12,18-19H2,2-7H3/b10-9+,15-11+,20-13+,21-14+,22-16+,25-17- ChemAxon inchikey JPXAXNVNJAVGLE-RNEGWMEASA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 134.06 ChemAxon polarizability 50.99 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25094 Specdb::CMs 46210 Specdb::CMs 169550 Specdb::MsMs 98991 Specdb::MsMs 98992 Specdb::MsMs 98993 Specdb::MsMs 164055 Specdb::MsMs 164056 Specdb::MsMs 164057 Specdb::MsMs 2447973 Specdb::MsMs 2447974 Specdb::MsMs 2447975 Specdb::MsMs 2518014 Specdb::MsMs 2518015 Specdb::MsMs 2518016 HMDB39022 #<Reference:0x00007f093c190248> Fruits Unknown generic