1.0 2010-04-08 22:12:11 UTC 2019-11-26 03:12:37 UTC FDB016013 Tirucallol Constituent 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-ol 20-epi-Euphol Kanzuiol Lanosta-8,24-dien-3-ol, (3beta,13alpha,14beta,17alpha,20S)- Tirucalladienol Tirucallol C30H50O 426.7174 426.386166222 (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 (+)-tirucallol 514-46-5 [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)C InChI=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/s1 CAHGCLMLTWQZNJ-HGKXYCPESA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid Tirucallane/euphane triterpenoids logp 7.72 ALOGPS logs -6.06 ALOGPS solubility 3.76e-04 g/l ALOGPS melting_point Mp 133-134.5° logp 7.71 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac (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 ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles [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)C ChemAxon formula C30H50O ChemAxon inchi InChI=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/s1 ChemAxon inchikey CAHGCLMLTWQZNJ-HGKXYCPESA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.54 ChemAxon polarizability 55.17 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22847 Specdb::CMs 45188 Specdb::CMs 133119 Specdb::CMs 140853 Specdb::MsMs 96948 Specdb::MsMs 96949 Specdb::MsMs 96950 Specdb::MsMs 161559 Specdb::MsMs 161560 Specdb::MsMs 161561 Specdb::MsMs 3049712 Specdb::MsMs 3049713 Specdb::MsMs 3049714 Specdb::MsMs 3117800 Specdb::MsMs 3117801 Specdb::MsMs 3117802 HMDB37032 #<Reference:0x000055ce32145090> Black tea Type 1 Cucumber Type 1 specific Cucumis sativus 3659 Green tea Type 1 Herbal tea Type 1 Muskmelon Type 1 specific Cucumis melo 3656 Nuts Unknown generic Red tea Type 1 Soy bean Type 1 specific Glycine max 3847 Tea Type 1 specific Camellia sinensis 4442