1.0 2010-04-08 22:13:35 UTC 2019-11-26 03:15:53 UTC FDB018224 Coriandrinonediol Constituent of Coriandrum sativum (coriander). Coriandrinonediol is found in coriander and herbs and spices. Coriandrinonediol C30H50O3 458.7162 458.375995466 (6aR,6bR,8aR,12aR,12bR,14S,14bS)-10,14-dihydroxy-4,4,6a,6b,9,9,12a,14b-octamethyl-docosahydropicen-1-one (6aR,6bR,8aR,12aR,12bR,14S,14bS)-10,14-dihydroxy-4,4,6a,6b,9,9,12a,14b-octamethyl-tetradecahydro-2H-picen-1-one 87018-23-3 [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H](O)C4[C@]5(C)C(CC[C@@]34C)C(C)(C)CCC5=O)[C@@]1(C)CCC(O)C2(C)C InChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3/t18-,19?,20-,21+,22?,24?,27-,28+,29+,30+/m0/s1 GGVUQGXIFKUXHY-RFXAPONZSA-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 alcohols and derivatives Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.36 ALOGPS logs -5.75 ALOGPS solubility 8.21e-04 g/l ALOGPS melting_point Mp 285-290° logp 5.83 ChemAxon pka_strongest_acidic 14.89 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (6aR,6bR,8aR,12aR,12bR,14S,14bS)-10,14-dihydroxy-4,4,6a,6b,9,9,12a,14b-octamethyl-docosahydropicen-1-one ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles [H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H](O)C4[C@]5(C)C(CC[C@@]34C)C(C)(C)CCC5=O)[C@@]1(C)CCC(O)C2(C)C ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3/t18-,19?,20-,21+,22?,24?,27-,28+,29+,30+/m0/s1 ChemAxon inchikey GGVUQGXIFKUXHY-RFXAPONZSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 133.34 ChemAxon polarizability 55.55 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16488 Specdb::CMs 46065 Specdb::CMs 171056 Specdb::MsMs 80361 Specdb::MsMs 80362 Specdb::MsMs 80363 Specdb::MsMs 141216 Specdb::MsMs 141217 Specdb::MsMs 141218 Specdb::MsMs 2828989 Specdb::MsMs 2828990 Specdb::MsMs 2828991 Specdb::MsMs 2853445 Specdb::MsMs 2853446 Specdb::MsMs 2853447 HMDB38799 #<Reference:0x000055ce324e9340> Coriander Type 1 specific Coriandrum sativum 4047 Herbs and Spices Unknown generic