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AG00C79I

Name: 3,17β-Dihydroxy-17α-ethynylestra-1,3,5(10)-trien-6-one
Brand: Angene Chemical
SKU: AG00C79I

38002-18-5 | 3,17β-Dihydroxy-17α-ethynylestra-1,3,5(10)-trien-6-one

Chemical structure of 3,17β-Dihydroxy-17α-ethynylestra-1,3,5(10)-trien-6-one, CAS 38002-18-5

AG00C79I

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CAS Number	38002-18-5
Catalog Number	AG00C79I(AGN-PC-0RF4P8)
Chemical Name	3,17β-Dihydroxy-17α-ethynylestra-1,3,5(10)-trien-6-one
IUPAC Name	(8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-6-one
InChI	InChI=1S/C20H22O3/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/h1,4-5,10,14-15,17,21,23H,6-9,11H2,2H3/t14-,15-,17+,19+,20+/m1/s1
InChI Key	QHTAUDUBRNENFJ-VCNAKFCDSA-N
MDL Number	MFCD00271530
Molecular Formula	C20H22O3
Molecular Weight	310.3869
SMILES	C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
UNII	9M79F2839C
Synonyms	6-Oxo-ethinylestradiol, 38002-18-5, 6-Keto Ethynyl Estradiol, UNII-9M79F2839C, 9M79F2839C, 6-Oxo-ethinyl estradiol, 6-Keto ethinyl estradiol, Ethinylestradiol impurity G [EP], 6-Ketoethinylestradiol, Ethinyl Estradiol Impurity G, SCHEMBL1896547, DTXSID50191417, 3,17beta-Dihydroxy-17alpha-ethynylestra-1,3,5(10)-trien-6-one, ZINC34397629, 19-Norpregna-1,3,5(10)-trien-20-yn-6-one, 3,17-dihydroxy-, (17alpha)-, 3,17-Dihydroxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-6-one, AKOS032958276, 3,17\|A-Dihydroxy-17\|A-ethynylestra-1,3,5(10)-trien-6-one, 3,17beta-Dihydroxy-17-ethynylestra-1,3,5(10)-triene-6-one, (17\|A)-3,17-Dihydroxy-19-norpregna-1,3,5(10)-trien-20-yn-6-one, (8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-6-one, 3,17-Dihydroxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-6-one (6-Oxoethinylestradiol; 6-Ketoethinylestradiol), CID11209099, CID 11209099, 1,3,5 -ESTRATRIEN-17-ALPHA-ETHYNYL-3,17-BETA-DIOL-6-ONE,

Complexity	575
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	310.157g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	310.393g/mol
Monoisotopic Mass	310.157g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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