1.0 2010-04-08 22:10:18 UTC 2019-11-26 03:07:24 UTC FDB012693 14alpha-Hydroxyixocarpanolide From the famine food Physalis angulata (cutleaf ground cherry). 14alpha-Hydroxyixocarpanolide is found in herbs and spices and fruits. 14a-Hydroxyixocarpanolide 6,7-Epoxy-5,14,20-trihydroxy-1-oxowith-2-enolide C28H40O7 488.613 488.277403634 15-[1-(4,5-dimethyl-6-oxooxan-2-yl)-1-hydroxyethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one 15-[1-(4,5-dimethyl-6-oxooxan-2-yl)-1-hydroxyethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one 107221-65-8 CC1CC(OC(=O)C1C)C(C)(O)C1CCC2(O)C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C InChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3 SPZVPSAUINZULS-UHFFFAOYSA-N belongs to the class of organic compounds known as withanolides and derivatives. These are c28 steroids structurally characterized by an ergostane skeleton usually functionalized at carbons 1, 22 and 26 to form a lactone ring. Withanolides and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aliphatic heteropolycyclic compounds Carboxylic acid esters Cyclic alcohols and derivatives Cyclohexenones Delta valerolactones Dialkyl ethers Epoxides Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Tertiary alcohols Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclohexenone Delta valerolactone Delta_valerolactone Dialkyl ether Ether Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Tertiary alcohol Withanolide-skeleton logp 2.12 ALOGPS logs -3.96 ALOGPS solubility 5.37e-02 g/l ALOGPS melting_point Mp 245-250° logp 2.55 ChemAxon pka_strongest_acidic 12.98 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 15-[1-(4,5-dimethyl-6-oxooxan-2-yl)-1-hydroxyethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one ChemAxon average_mass 488.613 ChemAxon mono_mass 488.277403634 ChemAxon smiles CC1CC(OC(=O)C1C)C(C)(O)C1CCC2(O)C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C ChemAxon formula C28H40O7 ChemAxon inchi InChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3 ChemAxon inchikey SPZVPSAUINZULS-UHFFFAOYSA-N ChemAxon polar_surface_area 116.59 ChemAxon refractivity 127.77 ChemAxon polarizability 53.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18378 Specdb::CMs 43823 Specdb::CMs 174380 Specdb::MsMs 95514 Specdb::MsMs 95515 Specdb::MsMs 95516 Specdb::MsMs 159789 Specdb::MsMs 159790 Specdb::MsMs 159791 Specdb::MsMs 2745854 Specdb::MsMs 2745855 Specdb::MsMs 2745856 Specdb::MsMs 2936446 Specdb::MsMs 2936447 Specdb::MsMs 2936448 HMDB34334 #<Reference:0x000055ce323ce618> Fruits Unknown generic Herbs and Spices Unknown generic