AG00DABR

474-62-4 | (8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

AG00DABR

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CAS Number	474-62-4
Catalog Number	AG00DABR(AGN-PC-0OALEO)
Chemical Name	(8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
EC Number	207-484-4
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-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/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChI Key	SGNBVLSWZMBQTH-PODYLUTMSA-N
MDL Number	MFCD28143670
Molecular Formula	C28H48O
Molecular Weight	400.6801
SMILES	C[C@@H](C(C)C)CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CCC4CC(O)=CC[C@]4(C)[C@@]3([H])CC[C@]12C
UNII	5L5O665639
Synonyms	22,23-dihydrobrassicasterol, 24 alpha-methylcholest-5-en-3 beta-ol, 24-methylcholesterol, campesterol, campesterol, (3beta)-isomer, campesterol, (3beta,24xi)-isomer, ergost-5-en-3 beta- ol, 24 epimer, CAMPESTEROL, Campesterin, 474-62-4, Campest-5-en-3beta-ol, 24(R)-methylcholesterol, NSC 224330, CHEBI:28623, SGNBVLSWZMBQTH-PODYLUTMSA-N, UNII-5L5O665639, Ergost-5-en-3-ol, (3b,24R)-, 5L5O665639, Campestrol, Ergost-5-en-3-ol, (24S)-beta-Methyl cholesterol, Campasterol, .DELTA.5-24-Isoergosten-3.beta.-ol, (24R)-Methylcholest-5-en-3.beta.-ol, 24.alpha.-Methyl-5-cholesten-3.beta.-ol, Ergost-5-en-3-ol-, (24R, 3.beta.)-, 24a-Methylcholesterol, 24|A-Methylcholesterol, 24alpha-Methylcholesterol, 24|A-methyl Cholesterol, Ergost-5-en-3-beta-ol, 24-alpha-Methylcholesterol, AC1L59TM, SCHEMBL94161, (24R)-5-Ergosten-3b-ol, (24R)ergost-5-en-3beta-ol, 24-methyl-5-Cholestene-3-ol, CHEMBL520535, (24R)-5-Ergosten-3beta-ol, (24R)-Ergost-5-en-3b-ol, (3-beta)-Ergost-5-en-3-ol, 24a-Methyl-5-cholesten-3b-ol, DTXSID3040988, delta5-24-Isoergosten-3beta-ol, (24R)-5-Ergosten-3-beta-ol, (24R)-Ergost-5-en-3beta-ol, cholest 5-en-3-ol, 24-methyl, (24R)-Ergost-5-en-3|A-ol, 24-Methylcholest-5-en-3beta-ol, (24R)-Ergost-5-en-3-beta-ol, (3b,24R)-Ergost-5-en-3-ol, (24R)-Methylcholest-5-en-3b-ol, (3beta,24R)-ergost-5-en-3-ol, (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 24|A-Methyl-5-cholesten-3|A-ol, HY-N1459, ZINC4095721, EINECS 207-484-4, Ergost-5-en-3beta-ol, (24R)-, (3|A,24R)-Ergost-5-en-3-ol, LMST01030097, MFCD28143670, (24R)-Methylcholest-5-en-3|A-ol, (3-beta-24R)-Ergost-5-en-3-ol, CS-6302, Ergost-5-en-3-ol, (3beta,24R)-, (24R)-24-methylcholest-5-en-3beta-ol, Ergost-5-en-3beta-ol, (24R)- (8CI), C01789, UNII-3OE0DD1I5J component SGNBVLSWZMBQTH-PODYLUTMSA-N, UNII-B46B6DD20U component SGNBVLSWZMBQTH-PODYLUTMSA-N, UNII-D083681CDS component SGNBVLSWZMBQTH-PODYLUTMSA-N, BF0849B6-7A25-4057-93A9-EB053E920C49, Campestanol, 24-epicampesterol, 24-Methylcholesterol, 24.alpha.-Methylcholesterol, (24R)-5-Ergosten-3.beta.-ol, CID173183, | currency5-24-Isoergosten-3|A-ol, ACN-046927, CS-P-00369, Ergost-5-en-3.beta.-ol, (24R)-, Ergost-5-en-3-ol, (3.beta.,24R)-, Campesterol, 98%, from Brassica campestris L. - 1MG 1mg, 474-60-2,

Complexity	620
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	400.371g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	400.691g/mol
Monoisotopic Mass	400.371g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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