AG0037HD

434-16-2 | (3β)-Cholesta-5,7-dien-3-ol

AG0037HD

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CAS Number	434-16-2
Catalog Number	AG0037HD(AGN-PC-0OAEUL)
Chemical Name	(3β)-Cholesta-5,7-dien-3-ol
EC Number	207-100-5
IUPAC Name	(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI	InChI=1S/C27H44O/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/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChI Key	UCTLRSWJYQTBFZ-DDPQNLDTSA-N
MDL Number	MFCD00003624
Molecular Formula	C27H44O
Molecular Weight	384.6377
SMILES	CC(C)CCC[C@@H](C)[C@H]3CC[C@@]4([H])C2=CC=C1C[C@@H](O)CC[C@@](C)1[C@]([H])2CC[C@]34C
UNII	BK1IU07GKF
Synonyms	7,8-didehydrocholesterol, 7-dehydrocholesterol, 7-dehydrocholesterol, (3alpha)-isomer, 7-dehydrocholesterol, (3beta,10alpha)-isomer, 7-dehydrocholesterol, (3beta,9beta)-isomer, 7-dehydrocholesterol, (3beta,9beta,10alpha)-isomer, 7-DHC, cholesta-5,7-dien-3 beta-ol, provitamin D(3), 7-Dehydrocholesterol, Provitamin D3, 434-16-2, Dehydrocholesterol, (-)-7-Dehydrocholesterol, 7,8-Didehydrocholesterol, Cholesta-5,7-dien-3beta-ol, Dehydrocholesterin, delta7-Cholesterol, 7-DHC, (3beta)-Cholesta-5,7-dien-3-ol, 5,7-Cholestadien-3-beta-ol, delta5,7-Cholesterol, UNII-BK1IU07GKF, 7-Dehydrocholesterin, NSC 18159, 5,7-Cholestandien-3beta-ol, Cholesta-5,7-dien-3-beta-ol, 7-dehydro-cholesterol, Cholesta-5,7-dien-3-ol, BK1IU07GKF, 5,7-cholestadien-3beta-ol, (3beta)-7-Dehydro Cholesterol, CHEBI:17759, UCTLRSWJYQTBFZ-DDPQNLDTSA-N, Cholesta-5,7-dien-3-ol, (3b)-, MFCD00003624, (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, Provitamin D(sub 3), Caswell No. 902E, delta(sup 7)-Cholesterol, Dehydrocholesterin [German], delta(sup 5,7)-Cholesterol, Cholesta-5,7-dien-3-ol, (3.beta.)-, 5,7-Cholestandien-3.beta.-ol, EINECS 207-100-5, EPA Pesticide Chemical Code 208700, (3-BETA)-CHOLESTA-5,7-DIEN-3-OL, Cholesta-5,7-dien-3-ol #, 5,7-Cholestadien-3-.beta.-ol, Cholesta-5,7-dien-3.beta.-ol, 3beta-Hydroxy-5,7-cholestadiene, cholesta-5,7-dien-3 beta-ol, provitamin-D3, Cholesta-5,7-dien-3-ol, (3beta)-, .DELTA.5,7-Cholestadien-3.beta.-ol, 7,8-dehydro-cholesterol, 7DHC, 5,7-Cholestandien-3-ol, EC 207-100-5, AC1L97BK, cholesta-5,7-dien-3b-ol, SCHEMBL3447, 5,7-Cholestadien-3|A-ol, 5,7-Cholestadien-3-bet-ol, 3|A-Hydroxy-5,7-cholestadiene, CHEMBL1797131, cholesta-5,7-dien-3 beta -ol, Delta5,7-Cholestadien-3beta-ol, (3b)-Cholesta-5,7-dien-3-ol, 3-bet.-Hydroxy-5,7-cholestadiene, 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, ZINC3860325, LMST01010069, 7-Dehydrocholesterol (Provitamin D3), Cholesta-5,7-dien-3beta-ol (8CI), SC-75822, 7-Dehydrocholesterol, >=95.0% (HPLC), HY-113279, CS-0059496, FT-0621393, C01164, Cholesta-5,7-dien-3-ol, (3-beta)- (9CI), W-106230, Cholesta-5,7-dien-3beta-ol (7,8-Didehydrocholesterol; Provitamin D3), (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 7-Cholesterol, provitamin D(3), Cholesterol, 7-dehydro-, cholesta-5,7-dienol, .DELTA.7-Cholesterol, .DELTA.5,7-Cholesterol, 7, 8- didehydrocholesterol, (3ss)-7-Dehydro Cholesterol, (3-beta)-7-Dehydrocholesterol, Cholesta-5,7-dien-3-ol,(3b)-, C27-H44-O, CID439423, 7-dehydrocholesterol, (3alpha)-isomer, (3.beta.)-Cholesta-5,7-dien-3-ol, CS-I-00099, CS-T-51713, 7-dehydrocholesterol, (3beta,9beta)-isomer, 7-dehydrocholesterol, (3beta,10alpha)-isomer, C016705, 7-dehydrocholesterol, (3beta,9beta,10alpha)-isomer,

Complexity	643
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	384.339g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	384.648g/mol
Monoisotopic Mass	384.339g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8

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