1.0 2010-04-08 22:10:22 UTC 2019-11-26 03:07:40 UTC FDB012816 Stigmasteryl glucoside Isolated from soya bean oil (Glycine max). Stigmasteryl glucoside is found in fats and oils, pulses, and cloves. (3b,22E,24S)-Stigmasta-5,22-dien-3-ol 3-glucoside (3b,22E,24S)-Stigmasta-5,22-dien-3-ol 3-O-b-D-glucopyranoside (3b,22E,24S)-Stigmasta-5,22-dien-3-ol 3-O-b-D-glucoside Poriferasterol monoglucoside Serposterol 3-glucoside Stigmasterol 3-glucoside Stigmasteryl glucoside Stigmasteryl-3-O-beta-D-glucopyranoside Substance F C35H58O6 574.8314 574.423339588 2-({14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 19716-26-8 CCC(\C=C\C(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+ VWDLOXMZIGUBKM-CMDGGOBGSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic heteropolycyclic compounds Acetals C24-propyl sterols and derivatives Delta-5-steroids Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound C24-propyl-sterol-skeleton Delta-5-steroid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Stigmastane-skeleton Triterpenoid logp 5.30 ALOGPS logs -5.18 ALOGPS solubility 3.83e-03 g/l ALOGPS melting_point Mp 299° logp 5.71 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({14-[(3E)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 574.8314 ChemAxon mono_mass 574.423339588 ChemAxon smiles CCC(\C=C\C(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C ChemAxon formula C35H58O6 ChemAxon inchi InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+ ChemAxon inchikey VWDLOXMZIGUBKM-CMDGGOBGSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 163.3 ChemAxon polarizability 68.68 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20796 Specdb::MsMs 110175 Specdb::MsMs 110176 Specdb::MsMs 110177 Specdb::MsMs 177786 Specdb::MsMs 177787 Specdb::MsMs 177788 HMDB34419 #<Reference:0x000055ce2f4d7210> Cloves Type 1 specific Syzygium aromaticum 219868 Fats and oils Unknown generic Pulses Unknown generic