1.0 2010-04-08 22:05:06 UTC 2019-11-26 02:56:40 UTC FDB001784 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol can be found in bitter gourd, which makes 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol a potential biomarker for the consumption of this food product. 5beta,19-Epoxy-19-methoxycucurbita-6,23-diene-3beta,25-diol C31H50O4 486.7263 486.370910088 (1R,4S,5S,8R,9R,13S,16S,19R)-8-[(2R,4E)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-ol (1R,4S,5S,8R,9R,13S,16S,19R)-8-[(2R,4E)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-ol 332950-28-4 CO[C@@H]1O[C@]23C=C[C@@]4([H])[C@]5(C)CC[C@]([H])([C@H](C)C\C=C\C(C)(O)C)[C@@]5(C)CCC14[C@]2([H])CC[C@H](O)C3(C)C InChI=1S/C31H50O4/c1-20(10-9-15-26(2,3)33)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(34-8)35-31)19-18-28(21,29)6/h9,14-15,17,20-25,32-33H,10-13,16,18-19H2,1-8H3/b15-9+/t20-,21-,22+,23+,24+,25-,28-,29+,30?,31-/m1/s1 LZKVXEZYUAJCDF-UQHQDSPHSA-N belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Cucurbitacins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cucurbitacins Aliphatic heteropolycyclic compounds Acetals Cyclic alcohols and derivatives Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Tertiary alcohols Tetrahydrofurans Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Cucurbitacin skeleton Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tertiary alcohol Tetrahydrofuran Triterpenoid logp 5.85 ALOGPS logs -6.72 ALOGPS solubility 9.38e-05 g/l ALOGPS logp 5.76 ChemAxon pka_strongest_acidic 14.62 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (1R,4S,5S,8R,9R,13S,16S,19R)-8-[(2R,4E)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-ol ChemAxon average_mass 486.7263 ChemAxon mono_mass 486.370910088 ChemAxon smiles CO[C@@H]1O[C@]23C=C[C@@]4([H])[C@]5(C)CC[C@]([H])([C@H](C)C\C=C\C(C)(O)C)[C@@]5(C)CCC14[C@]2([H])CC[C@H](O)C3(C)C ChemAxon formula C31H50O4 ChemAxon inchi InChI=1S/C31H50O4/c1-20(10-9-15-26(2,3)33)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(34-8)35-31)19-18-28(21,29)6/h9,14-15,17,20-25,32-33H,10-13,16,18-19H2,1-8H3/b15-9+/t20-,21-,22+,23+,24+,25-,28-,29+,30?,31-/m1/s1 ChemAxon inchikey LZKVXEZYUAJCDF-UQHQDSPHSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 142.37 ChemAxon polarizability 57.78 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78786 Specdb::MsMs 78787 Specdb::MsMs 78788 Specdb::MsMs 139236 Specdb::MsMs 139237 Specdb::MsMs 139238 Specdb::MsMs 3598453 Specdb::MsMs 3598454 Specdb::MsMs 3598455 Specdb::MsMs 3598456 Specdb::MsMs 3598457 Specdb::MsMs 3598458 Bitter gourd Type 1 specific Momordica charantia 3673