1.0 2010-04-08 22:14:55 UTC 2018-05-29 01:45:53 UTC FDB020283 Methoxybauerenol Constituent of Saccharum officinarum (sugar cane) Methoxy 7-Baueren-3b-ol Methoxybauerenol C31H52O 440.744 440.401816286 10-methoxy-1,2,4a,6a,9,9,12a,14a-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene 10-methoxy-1,2,4a,6a,9,9,12a,14a-octamethyl-2,3,4,5,6,8,8a,10,11,12,12b,13,14,14b-tetradecahydro-1H-picene 11008-41-6 COC1CCC2(C)C3CCC4(C)C5C(C)C(C)CCC5(C)CCC4(C)C3=CCC2C1(C)C InChI=1S/C31H52O/c1-20-12-15-28(5)18-19-30(7)23-10-11-24-27(3,4)25(32-9)14-16-29(24,6)22(23)13-17-31(30,8)26(28)21(20)2/h10,20-22,24-26H,11-19H2,1-9H3 HMTYXVQACLXYEQ-UHFFFAOYSA-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 Dialkyl ethers Hydrocarbon derivatives Aliphatic homopolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Triterpenoid logp 7.33 ALOGPS logs -7.49 ALOGPS solubility 1.43e-05 g/l ALOGPS melting_point Mp 212-215° logp 8.03 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 10-methoxy-1,2,4a,6a,9,9,12a,14a-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicene ChemAxon average_mass 440.744 ChemAxon mono_mass 440.401816286 ChemAxon smiles COC1CCC2(C)C3CCC4(C)C5C(C)C(C)CCC5(C)CCC4(C)C3=CCC2C1(C)C ChemAxon formula C31H52O ChemAxon inchi InChI=1S/C31H52O/c1-20-12-15-28(5)18-19-30(7)23-10-11-24-27(3,4)25(32-9)14-16-29(24,6)22(23)13-17-31(30,8)26(28)21(20)2/h10,20-22,24-26H,11-19H2,1-9H3 ChemAxon inchikey HMTYXVQACLXYEQ-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 136.73 ChemAxon polarizability 56.29 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11329 Specdb::CMs 146619 Specdb::MsMs 291016 Specdb::MsMs 291017 Specdb::MsMs 291018 Specdb::MsMs 330823 Specdb::MsMs 330824 Specdb::MsMs 330825 Specdb::MsMs 2827350 Specdb::MsMs 2827351 Specdb::MsMs 2827352 Specdb::MsMs 2851918 Specdb::MsMs 2851919 Specdb::MsMs 2851920 HMDB40517 #<Reference:0x000055ce3305dd20>