1.0 2010-04-08 22:10:54 UTC 2019-11-26 03:09:03 UTC FDB013787 2'-Apo-beta-carotenal Trace constituent of Citrus subspecies 2'-Apo-beta-carotenal is found in citrus. b-Apo-2'-carotinal C37H48O 508.7764 508.370516158 (2Z,4Z,6Z,8E,10E,12E,14Z,16E,18E,20Z,22E)-4,8,12,17,21-pentamethyl-23-(2,6,6-trimethylcyclohex-1-en-1-yl)tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal (2Z,4Z,6Z,8E,10E,12E,14Z,16E,18E,20Z,22E)-4,8,12,17,21-pentamethyl-23-(2,6,6-trimethylcyclohex-1-en-1-yl)tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal 5525-46-2 C\C(\C=C\C=C(/C)\C=C/C=C(/C)\C=C/C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C37H48O/c1-30(18-11-20-32(3)21-12-22-33(4)24-15-29-38)16-9-10-17-31(2)19-13-23-34(5)26-27-36-35(6)25-14-28-37(36,7)8/h9-13,15-24,26-27,29H,14,25,28H2,1-8H3/b10-9-,18-11+,19-13+,21-12-,24-15-,27-26+,30-16+,31-17+,32-20+,33-22-,34-23- BHSZYKGHISLXHM-GOALLJMFSA-N belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units. Sesquaterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquaterpenoids Aliphatic homomonocyclic compounds Aldehydes Enals Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Sesquaterpenoid logp 8.90 ALOGPS logs -5.98 ALOGPS solubility 5.36e-04 g/l ALOGPS melting_point Mp 160-161° logp 9.28 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2Z,4Z,6Z,8E,10E,12E,14Z,16E,18E,20Z,22E)-4,8,12,17,21-pentamethyl-23-(2,6,6-trimethylcyclohex-1-en-1-yl)tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal ChemAxon average_mass 508.7764 ChemAxon mono_mass 508.370516158 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C/C=C(/C)\C=C/C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C ChemAxon formula C37H48O ChemAxon inchi InChI=1S/C37H48O/c1-30(18-11-20-32(3)21-12-22-33(4)24-15-29-38)16-9-10-17-31(2)19-13-23-34(5)26-27-36-35(6)25-14-28-37(36,7)8/h9-13,15-24,26-27,29H,14,25,28H2,1-8H3/b10-9-,18-11+,19-13+,21-12-,24-15-,27-26+,30-16+,31-17+,32-20+,33-22-,34-23- ChemAxon inchikey BHSZYKGHISLXHM-GOALLJMFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 181.94 ChemAxon polarizability 65.67 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9377 Specdb::MsMs 90351 Specdb::MsMs 90352 Specdb::MsMs 90353 Specdb::MsMs 153486 Specdb::MsMs 153487 Specdb::MsMs 153488 Specdb::MsMs 2288151 Specdb::MsMs 2288152 Specdb::MsMs 2288153 Specdb::MsMs 2647251 Specdb::MsMs 2647252 Specdb::MsMs 2647253 HMDB35150 #<Reference:0x000055ce324f0578> Citrus Unknown generic