1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:07 UTC FDB015729 alpha,gamma-Onoceradienedione Constituent of Lansium domesticum (langsat). alpha,gamma-Onoceradienedione is found in fruits. a,g-Onoceradienedione C30H46O2 438.685 438.349780716 5-[2-(5,5,8a-trimethyl-2-methylidene-6-oxo-decahydronaphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-one 5-[2-(5,5,8a-trimethyl-2-methylidene-6-oxo-hexahydronaphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-4,5,8,8a-tetrahydro-3H-naphthalen-2-one 19940-78-4 CC1=CCC2C(C)(C)C(=O)CCC2(C)C1CCC1C(=C)CCC2C(C)(C)C(=O)CCC12C InChI=1S/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24H,1,9,11-18H2,2-8H3 AVJMTAKTBATOTJ-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 6.52 ALOGPS logs -6.09 ALOGPS solubility 3.53e-04 g/l ALOGPS melting_point Mp 127-128° logp 7.7 ChemAxon pka_strongest_acidic 19.61 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 5-[2-(5,5,8a-trimethyl-2-methylidene-6-oxo-decahydronaphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-one ChemAxon average_mass 438.685 ChemAxon mono_mass 438.349780716 ChemAxon smiles CC1=CCC2C(C)(C)C(=O)CCC2(C)C1CCC1C(=C)CCC2C(C)(C)C(=O)CCC12C ChemAxon formula C30H46O2 ChemAxon inchi InChI=1S/C30H46O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h10,21-24H,1,9,11-18H2,2-8H3 ChemAxon inchikey AVJMTAKTBATOTJ-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 133.61 ChemAxon polarizability 52.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19586 Specdb::CMs 171264 Specdb::MsMs 63468 Specdb::MsMs 63469 Specdb::MsMs 63470 Specdb::MsMs 120426 Specdb::MsMs 120427 Specdb::MsMs 120428 Specdb::MsMs 2671452 Specdb::MsMs 2671453 Specdb::MsMs 2671454 Specdb::MsMs 3011244 Specdb::MsMs 3011245 Specdb::MsMs 3011246 HMDB36787 #<Reference:0x000055ce328ff128> Fruits Unknown generic