AG00DDEL

516-72-3 | 20ALPHA-HYDROXYCHOLESTEROL

AG00DDEL

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CAS Number	516-72-3
Catalog Number	AG00DDEL(AGN-PC-0OBJZ1)
Chemical Name	20ALPHA-HYDROXYCHOLESTEROL
IUPAC Name	(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI	InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChI Key	MCKLJFJEQRYRQT-APGJSSKUSA-N
MDL Number	MFCD16661190
Molecular Formula	C27H46O2
Molecular Weight	402.6529
SMILES	CC(C)CCC[C@@](C)(O)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4CC(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
UNII	30060WAL99
Synonyms	(20S)-20-hydroxycholesterol, (20S)-cholest-5-ene-3 beta,20-diol, 20 alpha-hydroxycholesterol, 20-hydroxycholesterol, 20-hydroxycholesterol, (3beta,20 xi)-isomer, 20-hydroxycholesterol, 3H-labeled, (3beta,20 xi)-isomer, 20alpha-hydroxycholesterol, 20R-hydroxycholesterol, 20-hydroxycholesterol, 20(S)-hydroxycholesterol, (20S)-20-Hydroxycholesterol, 20alpha-Hydroxycholesterol, UNII-30060WAL99, 516-72-3, cholest-5-en-3beta,20-diol, CHEBI:1296, 30060WAL99, (3alpha,8alpha)-Cholest-5-Ene-3,20-Diol, 20S-hydroxycholesterol, 20(S)-OHC, Cholest-5-ene-3beta,20alpha-diol, HCD, 20S-Cholest-5-ene-3beta,20-diol, (20S)-Cholest-5-ene-3beta,20-diol, 20|A-Hydroxycholesterol, AC1L3TOM, SCHEMBL288274, nat-20(S)-Hydroxycholesterol, CHEMBL173898, cholest-5-ene-3beta,20-diol, 5-Cholestene-3|A,20|A-diol, BDBM20175, ZINC5758870, (3beta)-cholest-5-ene-3,20-diol, LMST01010201, Cholest-5-ene-3,20-diol, (3beta)-, CC-08461, Cholest-5-ene-3beta,20-diol, (20S)-, B7669, 20alpha-Hydroxycholesterol, analytical standard, C05500, C-29988, (1S,2R,5S,10S,11S,14S,15S)-14-[(2S)-2-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadec-7-en-5-ol, (3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 20R-hydroxycholesterol, 20 alpha-hydroxycholesterol, 20s-cholest-5-ene-3|A,20-diol, AR-1D7845, CID121935, C27-H46-O2, (20S)-cholest-5-ene-3 beta,20-diol, Cholest-5-ene-3,20-diol, (3 beta)-, Cholest-5-ene-3,20-diol, (3.beta.)-, 20-hydroxycholesterol, (3beta,20 xi)-isomer, C025813, 20-hydroxycholesterol, 3H-labeled, (3beta,20 xi)-isomer, 52793-04-1,

Complexity	638
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	402.35g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	402.663g/mol
Monoisotopic Mass	402.35g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number