1.0 2010-04-08 22:10:31 UTC 2019-11-26 03:07:57 UTC FDB013091 Deterrol stearate Isolated from the mushrooms Lactarius subspecies Deterrol stearate is found in mushrooms. Deterrol stearate Sesquiterpene, stearic acid ester C33H50O2 478.7489 478.381080844 [4-methyl-7-(prop-1-en-2-yl)azulen-1-yl]methyl octadecanoate [4-methyl-7-(prop-1-en-2-yl)azulen-1-yl]methyl octadecanoate 52898-98-3 CCCCCCCCCCCCCCCCCC(=O)OCC1=C2C=C(C=CC(C)=C2C=C1)C(C)=C InChI=1S/C33H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h21-25H,2,5-20,26H2,1,3-4H3 LIMRDFZTVWETFB-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Guaianes Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homopolycyclic compounds Azulenes Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homopolycyclic compound Azulene Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Guaiane sesquiterpenoid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 8.98 ALOGPS logs -6.20 ALOGPS solubility 3.03e-04 g/l ALOGPS logp 11.56 ChemAxon pka_strongest_basic -7 ChemAxon iupac [4-methyl-7-(prop-1-en-2-yl)azulen-1-yl]methyl octadecanoate ChemAxon average_mass 478.7489 ChemAxon mono_mass 478.381080844 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC1=C2C=C(C=CC(C)=C2C=C1)C(C)=C ChemAxon formula C33H50O2 ChemAxon inchi InChI=1S/C33H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(34)35-26-30-23-24-31-28(4)21-22-29(27(2)3)25-32(30)31/h21-25H,2,5-20,26H2,1,3-4H3 ChemAxon inchikey LIMRDFZTVWETFB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 151.13 ChemAxon polarizability 63.28 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24702 Specdb::CMs 156573 Specdb::MsMs 97971 Specdb::MsMs 97972 Specdb::MsMs 97973 Specdb::MsMs 162783 Specdb::MsMs 162784 Specdb::MsMs 162785 Specdb::MsMs 2814143 Specdb::MsMs 2814144 Specdb::MsMs 2814145 Specdb::MsMs 2892048 Specdb::MsMs 2892049 Specdb::MsMs 2892050 HMDB34578 #<Reference:0x00007f093c0335d0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322