1.0 2016-10-03 18:21:37 UTC 2020-04-22 15:45:34 UTC BMDB0011605 BMDB11605 4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol 4-a-Methyl-5-a-cholest-7-en-3-b-ol 4-Α-methyl-5-α-cholest-7-en-3-β-ol 4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol 4-Methylcholest-7-en-3-ol 4alpha-Methyl-5alpha-cholest-7-en-3beta-ol Lophenol Methostenol 4-Methylcholest-7-en-3-ol, (3beta,4alpha)-isomer C28H48O 400.6801 400.370516158 (1R,2S,5S,6S,7S,11R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol (1R,2S,5S,6S,7S,11R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol 481-25-4 [H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)[C@@H](O)CC[C@]12C InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22?,23+,24+,25+,26+,27-,28+/m1/s1 LMYZQUNLYGJIHI-DOQVYVCQSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives Solid logp 7.34 ALOGPS logs -7.13 ALOGPS logp 7.48 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (1R,2S,5S,6S,7S,11R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol ChemAxon average_mass 400.6801 ChemAxon mono_mass 400.370516158 ChemAxon smiles [H][C@@]12CCC([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C)[C@@H](O)CC[C@]12C ChemAxon formula C28H48O ChemAxon inchi InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22?,23+,24+,25+,26+,27-,28+/m1/s1 ChemAxon inchikey LMYZQUNLYGJIHI-DOQVYVCQSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 125.09 ChemAxon polarizability 51.94 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20705 Specdb::CMs 39717 Specdb::CMs 132496 Specdb::CMs 140230 Specdb::MsMs 179805 Specdb::MsMs 179806 Specdb::MsMs 179807 Specdb::MsMs 182139 Specdb::MsMs 182140 Specdb::MsMs 182141 Specdb::MsMs 2311751 Specdb::MsMs 2311752 Specdb::MsMs 2311753 Specdb::MsMs 2650370 Specdb::MsMs 2650371 Specdb::MsMs 2650372 Specdb::EiMs 2000 Specdb::NmrOneD 302825 Specdb::NmrOneD 302826 Specdb::NmrOneD 302827 Specdb::NmrOneD 302828 Specdb::NmrOneD 302829 Specdb::NmrOneD 302830 Specdb::NmrOneD 302831 Specdb::NmrOneD 302832 Specdb::NmrOneD 302833 Specdb::NmrOneD 302834 Specdb::NmrOneD 302835 Specdb::NmrOneD 302836 Specdb::NmrOneD 302837 Specdb::NmrOneD 302838 Specdb::NmrOneD 302839 Specdb::NmrOneD 302840 Specdb::NmrOneD 302841 Specdb::NmrOneD 302842 Specdb::NmrOneD 302843 Specdb::NmrOneD 302844 FDB012028 25994938 50990062 C08825 18378 C00003659