AG002YHG

80-97-7 | Cholestan-3-ol, (3β,5α)-

AG002YHG

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CAS Number	80-97-7
Catalog Number	AG002YHG(AGN-PC-0OIH4R)
Chemical Name	Cholestan-3-ol, (3β,5α)-
EC Number	201-315-8
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
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
InChI Key	QYIXCDOBOSTCEI-QCYZZNICSA-N
MDL Number	MFCD00066413
Molecular Formula	C27H48O
Molecular Weight	388.6694
SMILES	C[C@]12[C@H]([C@H]3[C@H](CC2)[C@]2(C)[C@@H](CC3)C[C@H](CC2)O)CC[C@@H]1[C@@H](CCCC(C)C)C
UNII	8M308U816E
Synonyms	5 alpha Cholestan 3 alpha ol, 5 alpha Cholestan 3 beta ol, 5 alpha-Cholestan-3 alpha-ol, 5 alpha-Cholestan-3 beta-ol, 5 beta Cholestan 3 beta ol, 5 beta-Cholestan-3 alpha-ol, 5 beta-Cholestan-3 beta-ol, beta Cholestanol, beta-Cholestan-3 beta-ol, 5, beta-Cholestanol, beta-ol, 5 beta-Cholestan-3, Cholestan 3 ol, Cholestan-3-ol, Cholestanol, Cholestanol, (3alpha, 5beta)-Isomer, Coprostanol, Coprosterol, Dihydrocholesterol, Dihydrocholesterol, beta-Cholestanol, 80-97-7, Zymostanol, 5alpha-Cholestanol, 5alpha-Cholestan-3beta-ol, Cholestan-3beta-ol, Dihydrocholesterin, CHOLESTANOL, 5-alpha-Cholestan-3-beta-ol, 3beta-Hydroxy-5alpha-cholestane, 5|A-Cholestan-3|A-ol, 3beta-Cholestanol, Cholestan-3-ol, (3beta,5alpha)-, Cholestan-3-ol, (3b,5a)-, UNII-8M308U816E, MFCD00066413, NSC 18188, (3beta,5alpha)-cholestan-3-ol, CHEBI:86570, QYIXCDOBOSTCEI-QCYZZNICSA-N, 8M308U816E, Epicholestanol, Cholestan-3-ol, (3.beta.,5.alpha.)-, 29466-38-4, Cholestanol (VAN), 3beta-Hydroxycholestane, 5alpha-Dihydrocholesterol, Cholestan-3-ol, (3.beta.)- #, 5a-Cholestanol, Cholestan-3b-ol, EINECS 201-315-8, 3b-Hydroxycholestane, 5a-Dihydrocholesterol, 5a-Cholestan-3b-ol, 3b-Hydroxy-5a-cholestane, bmse000541, AC1L1N1A, (3b,5a)-Cholestan-3-ol, (5alpha)-cholestan-3beta-ol, SCHEMBL133951, (+)-Dihydrocholesterol solution, CHEMBL1289436, CTK3E8365, 5^a-Cholestan-3^b-ol, 98%, 3|A-oC>>u-5|A-micro cThornIe, ZINC4262223, ANW-41621, LMST01010077, 5alpha-Cholestan-3beta-ol, >=95%, Cholestane, 3beta-hydroxy-, 5alpha-, AKOS016036214, ACN-048867, API0001978, HY-107819, CS-0030696, 1814DD66-70FE-4610-86FB-FA8455101768, Cholestanol, United States Pharmacopeia (USP) Reference Standard, Cholestanol solution, certified reference material, 10 mg/mL in chloroform, (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, (3S,5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-dimethylhexyl)-10,13-dimethylhexadecahydrocyclopenta[a]phenanthren-3-ol, cholesterol, Coprosterol, 5b-cholestanol, beta Cholestanol, ?-Cholestanol, |A-Cholestanol, Cholestan 3 ol, Cholestan-3-ol, .beta.-Cholestanol, COPROSTANOL, 3.beta.-Cholestanol, 5.alpha.-Cholestanol, Cholestan-3.beta.-ol, 3.beta.-Hydroxycholestane, 5.alpha.-Dihydrocholesterol, 5 beta Cholestan 3 beta ol, 5 beta-Cholestan-3 beta-ol, 5 alpha Cholestan 3 beta ol, 5 alpha-Cholestan-3 beta-ol, 5 beta-Cholestan-3 alpha-ol, 5 alpha Cholestan 3 alpha ol, 5 alpha-Cholestan-3 alpha-ol, beta-Cholestan-3 beta-ol, 5, beta-ol, 5 beta-Cholestan-3, 5.alpha.-Cholestan-3.beta.-ol, C27H48O, CID6665, (3-beta,5-alpha)-Cholestan-3-ol, AR-1G7253, c0317, C27-H48-O, 3.beta.-Hydroxy-5.alpha.-cholestane, Cholestanol, (3alpha, 5beta)-Isomer, D004083, 3029-19-4, CLR,

Complexity	540
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	388.371g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	388.68g/mol
Monoisotopic Mass	388.371g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H331-H336-H351-H361d-H372
Packing Group
Precautionary statements	P261-P281-P305+P351+P338-P311
UN Code	\N

Certificate of Analysis

Lot Number