1.0 2010-04-08 22:15:20 UTC 2019-11-26 03:19:37 UTC FDB020913 21b-Hydroxygypsogenin Constituent of Luffa cylindrica (smooth luffa). 21b-Hydroxygypsogenin is found in fruits. 21-Hydroxygypsogenin 21b-Hydroxygypsogenin 3,21-Dihydroxy-23-oxo-12-oleanen-28-oic acid Lucyin A C30H46O5 486.6832 486.334524582 9-formyl-3,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 9-formyl-3,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 152845-76-6 CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O InChI=1S/C30H46O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35) MFGKQCGZFKURGT-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 Aldehydes Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Steroids and steroid derivatives Alcohol Aldehyde Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid logp 4.94 ALOGPS logs -5.13 ALOGPS solubility 3.59e-03 g/l ALOGPS melting_point Mp 240-242° logp 4.4 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 9-formyl-3,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 486.6832 ChemAxon mono_mass 486.334524582 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O ChemAxon formula C30H46O5 ChemAxon inchi InChI=1S/C30H46O5/c1-25(2)15-19-18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-29(21,6)28(18,5)13-14-30(19,24(34)35)16-23(25)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35) ChemAxon inchikey MFGKQCGZFKURGT-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 135.93 ChemAxon polarizability 55.97 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26374 Specdb::CMs 47080 Specdb::CMs 137829 Specdb::CMs 145563 Specdb::MsMs 8933 Specdb::MsMs 8934 Specdb::MsMs 8935 Specdb::MsMs 15605 Specdb::MsMs 15606 Specdb::MsMs 15607 Specdb::MsMs 2384399 Specdb::MsMs 2384400 Specdb::MsMs 2384401 Specdb::MsMs 2582100 Specdb::MsMs 2582101 Specdb::MsMs 2582102 HMDB41041 #<Reference:0x000055ce31770218> Fruits Unknown generic