1.0 2016-10-03 18:33:36 UTC 2020-04-22 15:48:52 UTC BMDB0012172 BMDB12172 4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol 4a-Hydroxymethyl-5a-cholesta-8,24-dien-3b-ol 4Α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol 4 alpha-Hysroxymethyl-5 alpha-cholsta-8,24-dien-3 beta-ol 4-alpha-Hysroxymethyl-5-alpha-cholsta-8,24-dien-3-beta-ol C28H46O2 414.6636 414.349780716 (2S,5S,6R,15R)-6-(hydroxymethyl)-2,15-dimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol (2S,5S,6R,15R)-6-(hydroxymethyl)-2,15-dimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3 InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1 ORZKEIGPXNMCHC-GYISYUOESA-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-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Aliphatic homopolycyclic compounds Solid logp 5.55 ALOGPS logs -5.13 ALOGPS logp 5.63 ChemAxon pka_strongest_acidic 14.75 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac (2S,5S,6R,15R)-6-(hydroxymethyl)-2,15-dimethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol ChemAxon average_mass 414.6636 ChemAxon mono_mass 414.349780716 ChemAxon smiles CC(CCC=C(C)C)C1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](CO)C1CC3 ChemAxon formula C28H46O2 ChemAxon inchi InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3/t19?,21-,22?,23?,24?,26-,27+,28-/m0/s1 ChemAxon inchikey ORZKEIGPXNMCHC-GYISYUOESA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 127.5 ChemAxon polarizability 52.07 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 292321 Specdb::MsMs 292322 Specdb::MsMs 292323 Specdb::MsMs 332488 Specdb::MsMs 332489 Specdb::MsMs 332490 Specdb::MsMs 2802823 Specdb::MsMs 2802824 Specdb::MsMs 2802825 Specdb::MsMs 2879051 Specdb::MsMs 2879052 Specdb::MsMs 2879053 Specdb::CMs 11958 Specdb::CMs 39850 Specdb::CMs 147434 25202625 FDB028826