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AG00JNLB

Name: 6b-Hydroxy Ethynyl Estradiol
Brand: Angene Chemical
SKU: AG00JNLB

56324-28-8 | 6b-Hydroxy Ethynyl Estradiol

Chemical structure of 6b-Hydroxy Ethynyl Estradiol, CAS 56324-28-8

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CAS Number	56324-28-8
Catalog Number	AG00JNLB(AGN-PC-0SLCN5)
Chemical Name	6b-Hydroxy Ethynyl Estradiol
IUPAC Name	(6R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol
InChI	InChI=1S/C20H24O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,4-5,10,14-15,17-18,21-23H,6-9,11H2,2H3/t14-,15-,17+,18-,19+,20+/m1/s1
InChI Key	XFBUZQAUNLRYCT-ZPNQOMQUSA-N
MDL Number	MFCD01310740
Molecular Formula	C20H24O3
Molecular Weight	312.4028
SMILES	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)c4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
UNII	G1W6D0O0CW
Synonyms	6beta-Hydroxy-ethinylestradiol, 56324-28-8, UNII-G1W6D0O0CW, G1W6D0O0CW, 6\|A-Hydroxy Ethynyl Estradiol, 6beta-Hydroxy-ethinyl estradiol, Ethinylestradiol impurity F [EP], Ethinylestradiol specified impurity F [EP], Ethynylestradiol Impurity F, 6beta-Hydroxyethinylestradiol, SCHEMBL3947959, 6beta-Hydroxy Ethynyl Estradiol, (6\|A,17\|A)-19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, CHEMBL1627665, DTXSID80204867, ZINC6067753, 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,6beta,17-triol, 19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (6beta,17alpha)-, AKOS032958170, 17alpha-Ethynylestra-1,3,5(10)-triene-3,6beta,17-triol, (6R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol, 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,6beta,17-triol (6beta-Hydroxyethinylestradiol), Ethinyl estriol, CID11771367, 1,3,5(10)-ESTRATRIEN-17-alpha-ETHYNYL-3,6-alpha, 17-beta-TRIOL,

Complexity	536
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	312.173g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	312.409g/mol
Monoisotopic Mass	312.173g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited