1.0 2010-04-08 22:09:55 UTC 2025-11-18 23:32:26 UTC FDB011956 Physapubescin Constituent of Physalis pubescens (ground cherry). Physapubescin is found in fruits. 15-Acetoxy-5,6:22,26:24,25-triepoxy-4,26-dihydroxyergost-2-en-1-one, 9CI C30H42O8 530.6497 530.28796832 6-hydroxy-15-(1-{2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl}ethyl)-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-13-yl acetate 6-hydroxy-15-(1-{2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl}ethyl)-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-13-yl acetate 74747-52-7 CC(C1CC(OC(C)=O)C2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1 InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3 QYJHRILRWPBICK-UHFFFAOYSA-N belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Steroid esters Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Aliphatic heteropolycyclic compounds 1,4-dioxepanes 5,6-epoxysteroids Carboxylic acid esters Cyclohexenones Dialkyl ethers Epoxides Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Pregnane steroids Secondary alcohols 1,4-dioxepane 5,6-epoxysteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclohexenone Dialkyl ether Dioxepane Ether Hemiacetal Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Pregnane-skeleton Secondary alcohol Steroid ester logp 2.50 ALOGPS logs -4.91 ALOGPS solubility 6.59e-03 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_acidic 11.17 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 6-hydroxy-15-(1-{2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl}ethyl)-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-13-yl acetate ChemAxon average_mass 530.6497 ChemAxon mono_mass 530.28796832 ChemAxon smiles CC(C1CC(OC(C)=O)C2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1 ChemAxon formula C30H42O8 ChemAxon inchi InChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3 ChemAxon inchikey QYJHRILRWPBICK-UHFFFAOYSA-N ChemAxon polar_surface_area 118.12 ChemAxon refractivity 136.15 ChemAxon polarizability 57.69 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100806 Specdb::MsMs 100807 Specdb::MsMs 100808 Specdb::MsMs 166251 Specdb::MsMs 166252 Specdb::MsMs 166253 Specdb::MsMs 2294919 Specdb::MsMs 2294920 Specdb::MsMs 2294921 Specdb::MsMs 2640409 Specdb::MsMs 2640410 Specdb::MsMs 2640411 Specdb::CMs 9439 Specdb::CMs 43509 Specdb::CMs 200771 Specdb::CMs 200773 Specdb::CMs 200775 Specdb::CMs 200778 Specdb::CMs 200780 Specdb::CMs 281076 HMDB33796 #<Reference:0x00007f08ec3973c0> Fruits Unknown generic