1.0 2010-04-08 22:15:20 UTC 2025-11-19 02:34:29 UTC FDB020911 21beta-Hydroxyhederagenin Constituent of Luffa cylindrica (smooth luffa). 21beta-Hydroxyhederagenin is found in fruits. 21b-Hydroxyhederagenin C30H48O5 488.6991 488.350174646 3,10-dihydroxy-9-(hydroxymethyl)-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 3,10-dihydroxy-9-(hydroxymethyl)-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 96304-77-7 CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O InChI=1S/C30H48O5/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/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35) SQDDCZCCYJZMCV-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 Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Steroids and steroid derivatives Alcohol 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 Primary alcohol Secondary alcohol Steroid Triterpenoid logp 5.00 ALOGPS logs -4.73 ALOGPS solubility 9.06e-03 g/l ALOGPS melting_point Mp 258-261° (Me ester) logp 4.08 ChemAxon pka_strongest_acidic 4.64 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3,10-dihydroxy-9-(hydroxymethyl)-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 488.6991 ChemAxon mono_mass 488.350174646 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O ChemAxon formula C30H48O5 ChemAxon inchi InChI=1S/C30H48O5/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/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35) ChemAxon inchikey SQDDCZCCYJZMCV-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 136.91 ChemAxon polarizability 56.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20855 Specdb::CMs 47079 Specdb::CMs 137643 Specdb::CMs 145377 Specdb::MsMs 312442 Specdb::MsMs 312443 Specdb::MsMs 312444 Specdb::MsMs 357703 Specdb::MsMs 357704 Specdb::MsMs 357705 Specdb::MsMs 2676789 Specdb::MsMs 2676790 Specdb::MsMs 2676791 Specdb::MsMs 3028230 Specdb::MsMs 3028231 Specdb::MsMs 3028232 HMDB41039 #<Reference:0x000055ce32b260c8> Fruits Unknown generic