AG0038EX

83-49-8 | Hyodeoxycholic Acid MaxSpec® Standard

AG0038EX

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CAS Number	83-49-8
Catalog Number	AG0038EX(AGN-PC-0OIU42)
Chemical Name	Hyodeoxycholic Acid MaxSpec® Standard
EC Number	201-483-2
IUPAC Name	(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI	InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChI Key	DGABKXLVXPYZII-SIBKNCMHSA-N
MDL Number	MFCD00003681
Molecular Formula	C24H40O4
Molecular Weight	392.5720
SMILES	OC1CC[C@]2(C(C1)CC([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
UNII	7A33Y6EHYK
Synonyms	3,6-dihydroxy-5alpha-cholanoic acid, hyodeoxycholic acid, hyodeoxycholic acid, (3alpha,5beta,6beta)-isomer, hyodeoxycholic acid, (3alpha,6beta)-isomer, hyodeoxycholic acid, sodium salt, hyodesoxycholic acid, murideoxycholic acid, NaHDC compound, sodium hyodeoxycholate, HYODEOXYCHOLIC ACID, 83-49-8, HDCA, Iodeoxycholic acid, 7-Deoxyhyocholic acid, Hyodesoxycholic acid, UNII-7A33Y6EHYK, Hyodeoxycholic acid (HDCA), NSC 60672, alpha-Hyodeoxycholic acid, 6alpha-Hydroxylithocholate, 7A33Y6EHYK, 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid, 3alpha,6alpha-Dihydroxy-5beta-cholanoic acid, CHEBI:52023, Hyodesoxycholsaeure, DGABKXLVXPYZII-SIBKNCMHSA-N, Hyodeoxycholate, MFCD00003681, 6|A-Dihydroxy-5|A-cholan-24-oic acid, 3alpha,6alpha-Dihydroxy-5beta-cholanic acid, Cholan-24-oic acid, 3,6-dihydroxy-, (3a,5b,6a)-, 6-alpha-Hydroxylithocholic acid, EINECS 201-483-2, 3alpha,6alpha-Dihydroxycholanic acid, BRN 3218394, 3|A, 5-beta-Cholanic acid-3-alpha,6-alpha-diol, .alpha.-Hyodeoxycholic acid, 3alpha,6alpha-Dihydroxy-5beta-cholan-24-saeure, 3-alpha,6-alpha-Dihydroxy-5-beta-cholan-24-oic acid, Cholan-24-oic acid, 3,6-dihydroxy-, (3alpha,5beta,6alpha)-, Hyodesoxycholsaure, 3.alpha.,6.alpha.-Dihydroxycholanic acid, 3|A,6|A-Dihydroxy-5|A-cholan-24-oic acid, 3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholanic acid, 3alpha,6alpha-Dihydroxy-5 beta-cholan-24-oic acid, HYODEOXYCHOLIC_ACID, 3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholanoic acid, Hyodeoxycholic-acid(HDCA), 5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-, AC1NR33U, 4-10-00-01600 (Beilstein Handbook Reference), Hyodeoxycholic acid, >=98%, SCHEMBL207643, 5 beta-Cholan-24-oic acid-3alpha,6alpha-diol, AHRO-001, CHEMBL272621, Cholan-24-oic acid, 3,6-dihydroxy-, (3.alpha.,5.beta.,6.alpha.)-, 6-.alpha.-Hydroxylithocholic acid, (R)-4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid, HY-N0169, ZINC3918159, BDBM50375596, LMST04010024, s2311, AKOS022168200, DB11789, SMP1_000164, NCGC00386169-01, AJ-47432, AK323621, AS-14254, K489, AB0014249, CS-0007886, C15517, 003H681, 5-.beta.-Cholanic acid-3-.alpha.,6-.alpha.-diol, W-104141, BRD-K44009692-001-02-3, (3alpha,5beta,6alpha)-3,6-Dihydroxycholan-24-oic acid, 5beta-Cholan-24-oic acid, 3alpha,6alpha-dihydroxy- (8CI), 3-.alpha.,6-.alpha.-Dihydroxy-5-.beta.-cholan-24-oic acid, 5.beta.-Cholan-24-oic acid, 3.alpha.,6.alpha.-dihydroxy-, 3,6-Dihydroxy-5.beta.-cholan-24-oic acid, (3.alpha.,6.alpha.)-, (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, hyodeoxycholicacid, NaHDC compound, Murideoxycholic acid, MDCA, Sodium hyodeoxycholate, Hyodeoxycholic acid/HDCA, Hyodeoxycholic acid, 96% 5g, C24H40O4, hyodeoxycholic acid, sodium salt, 3,6-dihydroxy-5alpha-cholanoic acid, ACN-040185, C24-H40-O4, CID5283820, Hyodeoxycholic acid, 98% - 25G 25g, hyodeoxycholic acid, (3alpha,6beta)-isomer, 3-alpha,6-alpha-dihydroxy-5beta-cholanic acid, 3-alpha-6-alpha-dihydroxy-5-beta-cholan-24-syre, C010471, hyodeoxycholic acid, (3alpha,5beta,6beta)-isomer, 3 alpha,6 alpha-dihydroxy- 5 beta-cholan-24-oic acid, (3-alpha,5-beta,6-alpha)-3,6-Dihydroxycholan-24-oic acid,

Complexity	605
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	392.293g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	392.58g/mol
Monoisotopic Mass	392.293g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number