1.0 2016-09-30 23:20:52 UTC 2020-04-22 15:17:04 UTC BMDB0006247 BMDB06247 25-Hydroxycholesterol C27H46O2 402.663 402.349780721 (2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol (2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol [H][C@@](C)(CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)C3([H])CC[C@]12C InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24?,26+,27-/m1/s1 INBGSXNNRGWLJU-JXQNGVEFSA-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 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols Tertiary alcohols 25-hydroxysteroid 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol Cholesterol-skeleton Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Aliphatic homopolycyclic compounds Solid logp 5.95 ALOGPS logs -6.22 ALOGPS logp 5.64 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -1 ChemAxon iupac (2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol ChemAxon average_mass 402.663 ChemAxon mono_mass 402.349780721 ChemAxon smiles [H][C@@](C)(CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)C3([H])CC[C@]12C ChemAxon formula C27H46O2 ChemAxon inchi InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24?,26+,27-/m1/s1 ChemAxon inchikey INBGSXNNRGWLJU-JXQNGVEFSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 122.45 ChemAxon polarizability 51.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 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::MsMs 1253701 Specdb::MsMs 1253702 Specdb::MsMs 1253703 Specdb::MsMs 1368919 Specdb::MsMs 1368920 Specdb::MsMs 1368921 Ryer, August I.; Gebert, Wm. H. Steroids. (1954), US 2673206 19540323 CAN 49:8565 AN 1955:8565