1.02010-04-08 22:12:11 UTC2019-11-26 03:12:37 UTCFDB016013TirucallolConstituent of gum mastic and pistachio nut resin. Tirucallol is found in many foods, some of which are soy bean, tea, cucumber, and muskmelon.(3beta,13alpha,14beta,17alpha,20S)-Lanosta-8,24-dien-3-ol20-epi-EupholKanzuiolLanosta-8,24-dien-3-ol, (3beta,13alpha,14beta,17alpha,20S)-TirucalladienolTirucallolC30H50O426.7174426.386166222(2S,5S,7R,11S,14S,15S)-2,6,6,11,15-pentamethyl-14-[(2S)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol(+)-tirucallol514-46-5[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@@H](C)CCC=C(C)CInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1CAHGCLMLTWQZNJ-HGKXYCPESA-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 compounds3-beta-hydroxysteroidsCyclic alcohols and derivativesHydrocarbon derivativesSecondary alcohols3-beta-hydroxysteroid3-hydroxysteroidAlcoholAliphatic homopolycyclic compoundCyclic alcoholHydrocarbon derivativeHydroxysteroidOrganic oxygen compoundOrganooxygen compoundSecondary alcoholSteroidTriterpenoidTirucallane/euphane triterpenoidslogp7.72logs-6.06solubility3.76e-04 g/lmelting_pointMp 133-134.5°logp7.71pka_strongest_acidic19.55pka_strongest_basic-0.81iupac(2S,5S,7R,11S,14S,15S)-2,6,6,11,15-pentamethyl-14-[(2S)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-olaverage_mass426.7174mono_mass426.386166222smiles[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@@H](C)CCC=C(C)CformulaC30H50OinchiInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1inchikeyCAHGCLMLTWQZNJ-HGKXYCPESA-Npolar_surface_area20.23refractivity134.54polarizability55.17rotatable_bond_count4acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs22847Specdb::CMs45188Specdb::CMs133119Specdb::CMs140853Specdb::MsMs96948Specdb::MsMs96949Specdb::MsMs96950Specdb::MsMs161559Specdb::MsMs161560Specdb::MsMs161561Specdb::MsMs3049712Specdb::MsMs3049713Specdb::MsMs3049714Specdb::MsMs3117800Specdb::MsMs3117801Specdb::MsMs3117802HMDB37032#<Reference:0x00005556742e15d8>Black teaType 1CucumberType 1specificCucumis sativus3659Green teaType 1Herbal teaType 1MuskmelonType 1specificCucumis melo3656NutsUnknowngenericRed teaType 1Soy beanType 1specificGlycine max3847TeaType 1specificCamellia sinensis4442