1.0 2016-09-30 22:28:13 UTC 2020-04-22 15:02:52 UTC BMDB0000308 BMDB00308 3b-Hydroxy-5-cholenoic acid 3b-Hydroxy-5-cholenoate 3b-Hydroxy-chol-5-en-24-Oate 3b-Hydroxy-chol-5-en-24-Oic acid 3b-Hydroxychol-5-en-24-ate 3b-Hydroxychol-5-en-24-ic acid 3b-Hydroxychol-5-en-24-Oate 3b-Hydroxychol-5-en-24-Oic acid 3b-Hydroxychol-5-enoate 3b-Hydroxychol-5-enoic acid 3b-Hydroxycholenoate 3b-Hydroxycholenoic acid 3beta-Hydroxy-5-cholenic acid 3beta-Hydroxy-5-cholenoate 3beta-Hydroxy-5-cholenoic acid 3beta-Hydroxy-chol-5-en-24-Oate 3beta-Hydroxy-chol-5-en-24-Oic acid 3beta-Hydroxy-delta5-cholenic acid 3beta-Hydroxychol-5-en-24-Oate 3beta-Hydroxychol-5-en-24-Oic acid Cholenate Cholenic acid D5-Cholenate D5-Cholenic acid 3 beta-Hydroxy-5-cholenic acid 3 beta-Hydroxy-delta 5-cholenic acid, sodium salt 3 beta-Hydroxy-delta 5-cholenic acid 3 beta-Hydroxy-5-cholenoic acid (4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-Hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]pentanoate C24H38O3 374.5567 374.282095082 (4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid (4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid 5255-17-4 [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1 HIAJCGFYHIANNA-QIZZZRFXSA-N belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Monohydroxy bile acids, alcohols and derivatives 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds C24 bile acids, alcohols, and derivatives Solid logp 4.54 ALOGPS logs -5.02 ALOGPS logp 4.62 ChemAxon pka_strongest_acidic 4.83 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid ChemAxon average_mass 374.5567 ChemAxon mono_mass 374.282095082 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C ChemAxon formula C24H38O3 ChemAxon inchi InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1 ChemAxon inchikey HIAJCGFYHIANNA-QIZZZRFXSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 108.53 ChemAxon polarizability 45.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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 26488 Specdb::CMs 37417 Specdb::CMs 145846 Specdb::CMs 1057628 Specdb::CMs 1057630 Specdb::CMs 1057632 Specdb::CMs 1057634 Specdb::CMs 1057636 Specdb::NmrTwoD 1269 Specdb::NmrOneD 1326 Specdb::MsMs 525 Specdb::MsMs 526 Specdb::MsMs 527 Specdb::MsMs 324727 Specdb::MsMs 324728 Specdb::MsMs 324729 Specdb::MsMs 373201 Specdb::MsMs 373202 Specdb::MsMs 373203 Specdb::MsMs 2399373 Specdb::MsMs 2399374 Specdb::MsMs 2399375 Specdb::MsMs 2536388 Specdb::MsMs 2536389 Specdb::MsMs 2536390 FDB021935 83950 384794 92997 C00052229 5297 Burton, Gerardo; Gros, Eduardo G. Synthesis of 3b-hydroxy-5-cholenic acid from 3b-hydroxy-5-pregnen-20-one aimed at the preparation of labeled steroid compounds. Journal of Steroid Biochemistry (1977), 8(1), 69-72.