1.0 2016-09-30 23:06:30 UTC 2020-05-21 16:27:04 UTC BMDB0003896 BMDB03896 7-Dehydrodesmosterol 24-Dehydroprovitamin D3 Cholesta-5,7,24-trien-3beta-ol Cholesta-5,7,24-triene-3beta-ol Cholesta-5,7,24-trien-3b-ol Cholesta-5,7,24-trien-3β-ol Cholesta-5,7,24-triene-3b-ol Cholesta-5,7,24-triene-3β-ol Cholesta-5,7,24-trien-3 beta-ol C27H42O 382.6218 382.323565966 (1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol (1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol 1715-86-2 [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)CCC=C(C)C InChI=1S/C27H42O/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/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1 RUSSPKPUXDSHNC-DDPQNLDTSA-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 3beta-sterol Cholesterol and derivatives Solid logp 6.101 logp 7.46 ALOGPS logs -5.78 ALOGPS logp 6.3 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol ChemAxon average_mass 382.6218 ChemAxon mono_mass 382.323565966 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)CCC=C(C)C ChemAxon formula C27H42O ChemAxon inchi InChI=1S/C27H42O/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/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1 ChemAxon inchikey RUSSPKPUXDSHNC-DDPQNLDTSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 122.32 ChemAxon polarizability 48.87 ChemAxon rotatable_bond_count 4 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 Steroid Biosynthesis SMP0087233 Specdb::CMs 21964 Specdb::CMs 38670 Specdb::CMs 134043 Specdb::CMs 141777 Specdb::MsMs 314791 Specdb::MsMs 314792 Specdb::MsMs 314793 Specdb::MsMs 360604 Specdb::MsMs 360605 Specdb::MsMs 360606 Specdb::MsMs 2749942 Specdb::MsMs 2749943 Specdb::MsMs 2749944 Specdb::MsMs 2928955 Specdb::MsMs 2928956 Specdb::MsMs 2928957 C05107 FDB030623 389458 440558 C00055229 27910 45126 7-Dehydrodesmosterol CPD-8646 BMDBP02110 24-dehydrocholesterol reductase A6QR14 DHCR24 Enzyme