1.0 2010-04-08 22:14:52 UTC 2019-11-26 03:18:37 UTC FDB020215 Garcinia lactone dibutyl ester Constituent of the fruit of Garcinia atroviridis (gelugor). Garcinia lactone dibutyl ester is found in fruits. Garcinia lactone dibutyl ester C14H22O7 302.3203 302.136553058 butyl 3-(2-butoxy-2-oxoethyl)-3-hydroxy-4-oxooxetane-2-carboxylate butyl 3-(2-butoxy-2-oxoethyl)-3-hydroxy-4-oxooxetane-2-carboxylate CCCCOC(=O)CC1(O)C(OC1=O)C(=O)OCCCC InChI=1S/C14H22O7/c1-3-5-7-19-10(15)9-14(18)11(21-13(14)17)12(16)20-8-6-4-2/h11,18H,3-9H2,1-2H3 TYDSJOYVIREIOH-UHFFFAOYSA-N belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Tricarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Aliphatic heteromonocyclic compounds Beta propiolactones Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxetanes Tertiary alcohols Alcohol Aliphatic heteromonocyclic compound Beta_propiolactone Carbonyl group Carboxylic acid ester Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxetane Tertiary alcohol Tricarboxylic acid or derivatives logp 1.78 ALOGPS logs -1.98 ALOGPS solubility 3.14e+00 g/l ALOGPS logp 1.57 ChemAxon pka_strongest_acidic 11.05 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac butyl 3-(2-butoxy-2-oxoethyl)-3-hydroxy-4-oxooxetane-2-carboxylate ChemAxon average_mass 302.3203 ChemAxon mono_mass 302.136553058 ChemAxon smiles CCCCOC(=O)CC1(O)C(OC1=O)C(=O)OCCCC ChemAxon formula C14H22O7 ChemAxon inchi InChI=1S/C14H22O7/c1-3-5-7-19-10(15)9-14(18)11(21-13(14)17)12(16)20-8-6-4-2/h11,18H,3-9H2,1-2H3 ChemAxon inchikey TYDSJOYVIREIOH-UHFFFAOYSA-N ChemAxon polar_surface_area 99.13 ChemAxon refractivity 70.76 ChemAxon polarizability 31.55 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11260 Specdb::CMs 46781 Specdb::CMs 135558 Specdb::CMs 143292 Specdb::NmrOneD 40502 Specdb::NmrOneD 40503 Specdb::NmrOneD 40504 Specdb::NmrOneD 40505 Specdb::NmrOneD 40506 Specdb::NmrOneD 40507 Specdb::NmrOneD 40508 Specdb::NmrOneD 40509 Specdb::NmrOneD 40510 Specdb::NmrOneD 40511 Specdb::NmrOneD 40512 Specdb::NmrOneD 40513 Specdb::NmrOneD 40514 Specdb::NmrOneD 40515 Specdb::NmrOneD 40516 Specdb::NmrOneD 40517 Specdb::NmrOneD 40518 Specdb::NmrOneD 40519 Specdb::NmrOneD 40520 Specdb::NmrOneD 40521 Specdb::MsMs 290875 Specdb::MsMs 290876 Specdb::MsMs 290877 Specdb::MsMs 330640 Specdb::MsMs 330641 Specdb::MsMs 330642 Specdb::MsMs 2417992 Specdb::MsMs 2417993 Specdb::MsMs 2417994 Specdb::MsMs 2548216 Specdb::MsMs 2548217 Specdb::MsMs 2548218 HMDB40462 #<Reference:0x000055ce326e60d0> Fruits Unknown generic