1.0 2016-09-30 23:22:40 UTC 2020-04-22 15:17:39 UTC BMDB0006505 BMDB06505 Lumisterol 3 (3b,9b,10a)-Cholesta-5,7-dien-3-ol 9b,10a-Cholesta-5,7-dien-3b-ol 9beta,10alpha-Cholesta-5,7-dien-3beta-ol C27H44O 384.6377 384.33921603 (1R,2S,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol lumisterol 3 5226-01-7 [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26-,27-/m1/s1 UCTLRSWJYQTBFZ-XMVWLVNMSA-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 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-5-steroids Delta-7-steroids Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol Cholesterol-skeleton Cyclic alcohol Delta-5-steroid Delta-7-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds Cholesterol and derivatives Solid logp 7.30 ALOGPS logs -6.41 ALOGPS logp 6.71 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1R,2S,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,9-dien-5-ol ChemAxon average_mass 384.6377 ChemAxon mono_mass 384.33921603 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C ChemAxon formula C27H44O ChemAxon inchi InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26-,27-/m1/s1 ChemAxon inchikey UCTLRSWJYQTBFZ-XMVWLVNMSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 121.47 ChemAxon polarizability 49.93 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::MsMs 322813 Specdb::MsMs 322814 Specdb::MsMs 322815 Specdb::MsMs 370819 Specdb::MsMs 370820 Specdb::MsMs 370821 Specdb::MsMs 2832738 Specdb::MsMs 2832739 Specdb::MsMs 2832740 Specdb::MsMs 2848973 Specdb::MsMs 2848974 Specdb::MsMs 2848975 Specdb::CMs 25645 Specdb::CMs 39030 Specdb::CMs 154147 FDB023946 99690 111049 2288990 Sauter, Eugen. Performance evaluation of ultraviolet equipment for vitaminization of milk. Milchwissenschaft (1954), 9 253-8.