1.0 2010-04-08 22:11:41 UTC 2025-11-19 00:53:08 UTC FDB015180 Centellasapogenol A Constituent of Centella asiatica (Asiatic pennywort). Centellasapogenol A is found in green vegetables. Centellasapogenol A C30H48O5 488.6991 488.350174646 10,11-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,13,14-icosahydropicene-4a-carboxylic acid 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14-tetradecahydropicene-4a-carboxylic acid CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)=C2C1)C(O)=O InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h20-23,31-33H,7-17H2,1-6H3,(H,34,35) LBYASJQBHLSHBP-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 12-hydroxysteroids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols 12-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid logp 4.88 ALOGPS logs -4.72 ALOGPS solubility 9.34e-03 g/l ALOGPS melting_point Mp 247-250° logp 4.2 ChemAxon pka_strongest_acidic 4.69 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 10,11-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,13,14-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 488.6991 ChemAxon mono_mass 488.350174646 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)=C2C1)C(O)=O ChemAxon formula C30H48O5 ChemAxon inchi InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h20-23,31-33H,7-17H2,1-6H3,(H,34,35) ChemAxon inchikey LBYASJQBHLSHBP-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 136.49 ChemAxon polarizability 56.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23713 Specdb::CMs 44806 Specdb::CMs 136713 Specdb::CMs 144447 Specdb::MsMs 56301 Specdb::MsMs 56302 Specdb::MsMs 56303 Specdb::MsMs 111681 Specdb::MsMs 111682 Specdb::MsMs 111683 Specdb::MsMs 2682723 Specdb::MsMs 2682724 Specdb::MsMs 2682725 Specdb::MsMs 3022641 Specdb::MsMs 3022642 Specdb::MsMs 3022643 HMDB36311 #<Reference:0x000055ce321881d8> Green vegetables Unknown generic