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AG00BFNN

Name: (6α,17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol
Brand: Angene Chemical
SKU: AG00BFNN

27521-34-2 | (6α,17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol

Chemical structure of (6α,17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, CAS 27521-34-2

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CAS Number	27521-34-2
Catalog Number	AG00BFNN(AGN-PC-0R3B9W)
Chemical Name	(6α,17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol
IUPAC Name	(6S,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-VTPPTGSRSA-N
MDL Number	MFCD01310740
Molecular Formula	C20H24O3
Molecular Weight	312.4028
SMILES	C[C@@]12[C@]([C@]3([C@@](C=4C([C@@H](O)C3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@]2(C#C)O)[H]
UNII	GG3MQJ7K0L
Synonyms	6alpha-Hydroxy-ethinylestradiol, 27521-34-2, UNII-GG3MQJ7K0L, GG3MQJ7K0L, 6alpha-Hydroxy Ethynyl Estradiol, 6\|A-Hydroxy Ethynyl Estradiol, 6alpha-Hydroxy-ethinyl estradiol, Ethinylestradiol impurity E [EP], 6alpha-Hydroxy-17alpha-ethynylestradiol, Ethynylestradiol Impurity E, 6alpha-Hydroxyethinylestradiol, SCHEMBL3940697, (6\|A,17\|A)-19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, CHEMBL1627959, DTXSID40181943, ZINC6067758, 6\|A-Hydroxy-17\|A-ethynylestradiol, 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,6alpha,17-triol, 19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (6alpha,17alpha)-, AKOS032958179, J-016798, 17alpha-Ethynylestra-1,3,5(10)-triene-3,6alpha,17-triol, 19-Nor-17\|A-pregna-1,3,5(10)-trien-20-yne-3,6\|A,17-triol, (6S,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-3,6alpha,17-triol (6alpha-Hydroxyethinylestradiol), 6--hydroxy ethynyl estradiol,

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