1.0 2010-04-08 22:14:49 UTC 2019-11-26 03:18:30 UTC FDB020123 16beta-Hydroxystellatogenin Constituent of Stenocereus stellatus (pitaya). 16beta-Hydroxystellatogenin is found in fruits. 16b-Hydroxystellatogenin 3b,16b,20-Trihydroxy-28,21b-lupanolide C30H48O5 488.6991 488.350174646 2,10-dihydroxy-19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-21-oxahexacyclo[18.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tricosan-22-one 2,10-dihydroxy-19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-21-oxahexacyclo[18.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tricosan-22-one 152218-60-5 CC(C)(O)C1C2CC3(C1C1CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC3O)C(=O)O2 InChI=1S/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3 TUGGKIJIUJBTCO-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 heteropolycyclic compounds 12-hydroxysteroids Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Delta valerolactones Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Pyrans Secondary alcohols Steroid lactones Tertiary alcohols Tetrahydrofurans 12-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Gamma butyrolactone Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Pyran Secondary alcohol Steroid Steroid lactone Tertiary alcohol Tetrahydrofuran Triterpenoid logp 4.06 ALOGPS logs -5.16 ALOGPS solubility 3.41e-03 g/l ALOGPS melting_point Mp 255-258° logp 3.68 ChemAxon pka_strongest_acidic 14.31 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 2,10-dihydroxy-19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-21-oxahexacyclo[18.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tricosan-22-one ChemAxon average_mass 488.6991 ChemAxon mono_mass 488.350174646 ChemAxon smiles CC(C)(O)C1C2CC3(C1C1CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C1(C)CC3O)C(=O)O2 ChemAxon formula C30H48O5 ChemAxon inchi InChI=1S/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3 ChemAxon inchikey TUGGKIJIUJBTCO-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 134.2 ChemAxon polarizability 56.5 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13299 Specdb::CMs 46764 Specdb::CMs 166490 Specdb::MsMs 8603 Specdb::MsMs 8604 Specdb::MsMs 8605 Specdb::MsMs 15275 Specdb::MsMs 15276 Specdb::MsMs 15277 Specdb::MsMs 2716518 Specdb::MsMs 2716519 Specdb::MsMs 2716520 Specdb::MsMs 2962467 Specdb::MsMs 2962468 Specdb::MsMs 2962469 HMDB40391 #<Reference:0x000055ce32087568> Fruits Unknown generic