1.02010-04-08 22:15:08 UTC2019-11-26 03:19:11 UTCFDB0205933beta-12,21-Baccharadien-3-olConstituent of Glycine max (soybean). 3beta-12,21-Baccharadien-3-ol is found in soy bean and pulses.C30H50O426.7174426.3861662221,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-en-1-yl)-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-ol1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-en-1-yl)-3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysen-2-ol160598-94-7CC(C)=CCCC1(C)CCC2(C)C(C1)=CCC1C3(C)CCC(O)C(C)(C)C3CCC21CInChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h10-11,23-25,31H,9,12-20H2,1-8H3PLCSXUZKJJNYDO-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.TriterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidsAliphatic homopolycyclic compoundsCyclic alcohols and derivativesHydrocarbon derivativesSecondary alcoholsAlcoholAliphatic homopolycyclic compoundCyclic alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSecondary alcoholTriterpenoidlogp8.37logs-6.42solubility1.63e-04 g/lmelting_pointMp 133-135°logp7.76pka_strongest_acidic19.49pka_strongest_basic-0.84iupac1,1,4a,8,10a,10b-hexamethyl-8-(4-methylpent-3-en-1-yl)-1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-olaverage_mass426.7174mono_mass426.386166222smilesCC(C)=CCCC1(C)CCC2(C)C(C1)=CCC1C3(C)CCC(O)C(C)(C)C3CCC21CformulaC30H50OinchiInChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h10-11,23-25,31H,9,12-20H2,1-8H3inchikeyPLCSXUZKJJNYDO-UHFFFAOYSA-Npolar_surface_area20.23refractivity134.74polarizability54.98rotatable_bond_count3acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs19976Specdb::CMs46961Specdb::CMs172753Specdb::MsMs310471Specdb::MsMs310472Specdb::MsMs310473Specdb::MsMs355198Specdb::MsMs355199Specdb::MsMs355200Specdb::MsMs2339403Specdb::MsMs2339404Specdb::MsMs2339405Specdb::MsMs2626055Specdb::MsMs2626056Specdb::MsMs2626057HMDB40777#<Reference:0x0000555675c2d050>PulsesUnknowngenericSoy beanType 1specificGlycine max3847