1.02010-04-08 22:09:55 UTC2019-11-26 03:05:49 UTCFDB011956PhysapubescinConstituent 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, 9CIC30H42O8530.6497530.287968326-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 acetate6-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 acetate74747-52-7CC(C1CC(OC(C)=O)C2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1InChI=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,9-13H2,1-6H3QYJHRILRWPBICK-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.Medium-chain fatty acidsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugatesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesStraight chain fatty acidsUnsaturated fatty acidsAliphatic acyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMedium-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundStraight chain fatty acidUnsaturated fatty acidUnsaturated fatty acidslogp2.50logs-4.91solubility6.59e-03 g/llogp2.64pka_strongest_acidic11.17pka_strongest_basic-3.5iupac6-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 acetateaverage_mass530.6497mono_mass530.28796832smilesCC(C1CC(OC(C)=O)C2C3CC4OC44C(O)C=CC(=O)C4(C)C3CCC12C)C1CC2(C)OC2(C)C(O)O1formulaC30H42O8inchiInChI=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,9-13H2,1-6H3inchikeyQYJHRILRWPBICK-UHFFFAOYSA-Npolar_surface_area118.12refractivity136.15polarizability57.69rotatable_bond_count4acceptor_count7donor_count2physiological_charge0formal_charge0Specdb::CMs9439Specdb::CMs43509Specdb::CMs200771Specdb::CMs200773Specdb::CMs200775Specdb::CMs200778Specdb::CMs200780Specdb::CMs281076Specdb::MsMs100806Specdb::MsMs100807Specdb::MsMs100808Specdb::MsMs166251Specdb::MsMs166252Specdb::MsMs166253Specdb::MsMs2294919Specdb::MsMs2294920Specdb::MsMs2294921Specdb::MsMs2640409Specdb::MsMs2640410Specdb::MsMs2640411HMDB33796#<Reference:0x00005556760c3358>FruitsUnknowngeneric