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Cholestanol

PubChem CID: 6665

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Compound Synonyms Dihydrocholesterol, 80-97-7, beta-Cholestanol, 5alpha-Cholestan-3beta-ol, CHOLESTANOL, Zymostanol, 5alpha-Cholestanol, Cholestan-3-ol, (3beta,5alpha)-, Dihydrocholesterin, Cholestan-3beta-ol, 5a-Cholestan-3b-ol, 3beta-Cholestanol, Cholestanol (VAN), 5-alpha-Cholestan-3-beta-ol, 3beta-Hydroxy-5alpha-cholestane, 5a-Cholestanol, 5, A-Cholestan-3, A-ol, Cholestan-3b-ol, MFCD00066413, (5alpha)-cholestan-3beta-ol, 3b-Hydroxycholestane, 5a-Dihydrocholesterol, UNII-8M308U816E, CHEBI:86570, CHOLESTANOL [MI], EINECS 201-315-8, 3b-Hydroxy-5a-cholestane, NSC 18188, (3b,5a)-Cholestan-3-ol, CHOLESTANOL [USP-RS], beta Cholestanol, (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3beta,5alpha)-cholestan-3-ol, Cholestan 3 ol, DTXSID40883258, NSC-18188, 8M308U816E, 29466-38-4, 5.alpha.-Cholestanol, CHOLESTAN-3-OL,(3.BETA.,5.ALPHA.)-, Epicholestanol, 5 beta Cholestan 3 beta ol, 5 beta-Cholestan-3 beta-ol, CHOLESTANOL (USP-RS), 5 alpha Cholestan 3 beta ol, 5 alpha-Cholestan-3 beta-ol, 5 beta-Cholestan-3 alpha-ol, Cholestan-3-ol, (3.beta.,5.alpha.)-, b-Cholestanol, 5 alpha Cholestan 3 alpha ol, 5 alpha-Cholestan-3 alpha-ol, beta-Cholestan-3 beta-ol, 5, beta-ol, 5 beta-Cholestan-3, Dihydrocholestenol, 5.alpha.-Cholestan-3.beta.-ol, Cholestan-3-ol, (3b,5a)-, Cholestanol, (3alpha, 5beta)-Isomer, Cholestan-3.beta.-ol, 5?-cholestan-3?-ol, 3beta-Hydroxycholestane, (+)-Dihydrocholesterol, 5alpha-Dihydrocholesterol, Cholestan-3-ol, (3alpha)-, DTXCID401474016, Cholestan-3-ol, (3.beta.)- #, (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol, 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-ol, 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 5-Cholestan-3-ol, bmse000541, SCHEMBL133951, CHEMBL1289436, 5 alpha -Cholestan-3 beta -ol, DIHYDROCHOLESTEROL [INCI], DTXCID901022802, 27409-41-2, LMST01010077, s5123, 5alpha-Cholestan-3beta-ol, >=95%, Cholestane, 3beta-hydroxy-, 5alpha-, AKOS016036214, CCG-268506, FC30433, AS-58118, CHOLESTAN-3-OL,(3BETA,5ALPHA)-, 1ST001398, HY-107819, CS-0030696, Dihydrocholesterol, 5-Cholestanol, NSC 18188, D94638, Q27159255, 1814DD66-70FE-4610-86FB-FA8455101768, Cholestanol, United States Pharmacopeia (USP) Reference Standard, (3S,5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-dimethylhexyl)-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-3-ol, 201-315-8
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 28.0
Description 5alpha-Cholestanol is a cholesterol derivative found in human feces, gallstones, eggs, and other biological matter.
Isotope Atom Count 0.0
Molecular Complexity 540.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 9.0
Uniprot Id P09884, P06766, Q02880
Iupac Name (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Prediction Hob 1.0
Class Steroids and steroid derivatives
Xlogp 9.4
Superclass Lipids and lipid-like molecules
Subclass Cholestane steroids
Molecular Formula C27H48O
Prediction Swissadme 0.0
Inchi Key QYIXCDOBOSTCEI-QCYZZNICSA-N
Fcsp3 1.0
Logs -6.894
Rotatable Bond Count 5.0
State Solid
Logd 7.003
Synonyms (3b,5a)-Cholestan-3-ol, &beta, -Cholestanol, 3-&beta, -Cholestanol, 3-beta-Cholestanol, 3-beta-Hydroxycholestane, 3&beta, -Hydroxy-5&alpha, -cholestane, 3&beta, -Hydroxycholestane, 3b-Hydroxy-5a-cholestane, 3b-Hydroxycholestane, 3beta-Cholestanol, 3beta-Hydroxy-5beta-cholestanol, 5&alpha, -Cholestan-3&beta, -ol, 5&alpha, -Cholestanol, 5a-Cholestan-3b-ol, 5a-Cholestanol, 5a-Dihydrocholesterol, Cholestan-3&beta, -ol, Cholestan-3b-ol, Cholestanol, Dihydrocholesterin, Dihydrocholesterol, Dihydrolathosterol, Epicholestanol, Lathostanol, Zymostanol, (3beta,5alpha)-Cholestan-3-ol, (3Β,5α)-cholestan-3-ol, 5Α-cholestanol, 5 alpha Cholestan 3 beta ol, 5 beta Cholestan 3 beta ol, 5 beta-Cholestan-3 beta-ol, beta Cholestanol, beta-Ol, 5 beta-cholestan-3, 5 alpha Cholestan 3 alpha ol, 5 alpha-Cholestan-3 beta-ol, Cholestan 3 ol, Cholestanol, (3alpha, 5beta)-isomer, Coprosterol, beta-Cholestanol, 5 beta-Cholestan-3 alpha-ol, Coprostanol, 5 alpha-Cholestan-3 alpha-ol, Cholestan-3-ol, beta-Cholestan-3 beta-ol, 5, 5alpha-Cholestanol
Substituent Name Cholesterol-skeleton, Cholesterol, 3-beta-hydroxysteroid, Hydroxysteroid, 3-hydroxysteroid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound
Compound Name Cholestanol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 388.371
Formal Charge 0.0
Monoisotopic Mass 388.371
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 388.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Esol -6.657416000000001
Inchi InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
Smiles C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Cholesterols and derivatives