1.0 2010-04-08 22:12:06 UTC 2019-11-26 03:12:21 UTC FDB015867 Cymbopogonol Constituent of Cymbopogon citratus (West Indian lemongrass). Cymbopogonol is found in lemon grass and herbs and spices. D:A-Friedo-4(23)-lupen-3b-ol C30H50O 426.7174 426.386166222 2,5,10,13,19-pentamethyl-18-methylidene-8-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-ol 8-isopropyl-2,5,10,13,19-pentamethyl-18-methylidenepentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-ol 60816-94-6 CC(C)C1CCC2(C)CCC3(C)C4CCC5(C)C(CCC(O)C5=C)C4(C)CCC3(C)C12 InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19,21-25,31H,3,9-18H2,1-2,4-8H3 QEDMSLJZGCZBIF-UHFFFAOYSA-N belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. Colensane and clerodane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Steroids and steroid derivatives Alcohol Aliphatic homopolycyclic compound Clerodane diterpenoid Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Steroid logp 6.11 ALOGPS logs -6.44 ALOGPS solubility 1.55e-04 g/l ALOGPS melting_point Mp 191-193° logp 7.45 ChemAxon pka_strongest_acidic 18.42 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 2,5,10,13,19-pentamethyl-18-methylidene-8-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC(C)C1CCC2(C)CCC3(C)C4CCC5(C)C(CCC(O)C5=C)C4(C)CCC3(C)C12 ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19(2)21-11-13-26(4)15-17-29(7)24-12-14-27(5)20(3)22(31)9-10-23(27)28(24,6)16-18-30(29,8)25(21)26/h19,21-25,31H,3,9-18H2,1-2,4-8H3 ChemAxon inchikey QEDMSLJZGCZBIF-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 130.91 ChemAxon polarizability 53.84 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24037 Specdb::CMs 45118 Specdb::CMs 131370 Specdb::CMs 139104 Specdb::MsMs 62727 Specdb::MsMs 62728 Specdb::MsMs 62729 Specdb::MsMs 119517 Specdb::MsMs 119518 Specdb::MsMs 119519 Specdb::MsMs 2266278 Specdb::MsMs 2266279 Specdb::MsMs 2266280 Specdb::MsMs 3075321 Specdb::MsMs 3075322 Specdb::MsMs 3075323 HMDB36904 #<Reference:0x000055ce31ea4160> Herbs and Spices Unknown generic Lemon grass Type 1 specific Cymbopogon citratus 66014 20.0 20.0 20.0 mg/100 g