1.0 2010-04-08 22:13:22 UTC 2019-11-26 03:15:23 UTC FDB017883 7,8-Dehydro-beta-micropteroxanthin Isolated from integuments of black bass Micropterus salmoides. 7,8-Dehydro-beta-micropteroxanthin is found in fishes. (3R)-7,8-Didehydro-11',12'-dihydro-3-hydroxy-10'-apo-peta,psi-carotenol 7,8-Dehydro-b-micropteroxanthin 7,8-Didehydro-11',12'-dihydro-10'-apo-b-carotene-3,10'-diol 7,8-Didehydro-beta-micropteroxanthin C27H38O2 394.5894 394.28718046 4-[(3E,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11-pentaen-1-yn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 4-[(3E,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11-pentaen-1-yn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 148031-76-9 C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C InChI=1S/C27H38O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,25,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,21-11+,22-12+,23-14+ WBZDTPSENKZGHB-CVQMZNOGSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Long-chain fatty alcohols Primary alcohols Secondary alcohols Alcohol Aliphatic homomonocyclic compound Cyclofarsesane sesquiterpenoid Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Sesquiterpenoid logp 6.00 ALOGPS logs -5.33 ALOGPS solubility 1.84e-03 g/l ALOGPS logp 5.29 ChemAxon pka_strongest_acidic 16.89 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 4-[(3E,5E,7E,9E,11E)-15-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11-pentaen-1-yn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 394.5894 ChemAxon mono_mass 394.28718046 ChemAxon smiles C\C(CCCO)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C ChemAxon formula C27H38O2 ChemAxon inchi InChI=1S/C27H38O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-9,11-14,25,28-29H,10,15,18-20H2,1-6H3/b8-7+,13-9+,21-11+,22-12+,23-14+ ChemAxon inchikey WBZDTPSENKZGHB-CVQMZNOGSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 132.11 ChemAxon polarizability 50.35 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10295 Specdb::CMs 45872 Specdb::CMs 169814 Specdb::MsMs 79143 Specdb::MsMs 79144 Specdb::MsMs 79145 Specdb::MsMs 139680 Specdb::MsMs 139681 Specdb::MsMs 139682 Specdb::MsMs 2315720 Specdb::MsMs 2315721 Specdb::MsMs 2315722 Specdb::MsMs 2622476 Specdb::MsMs 2622477 Specdb::MsMs 2622478 HMDB38506 #<Reference:0x000055ce326ad2d0> Fishes Unknown generic