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AG00G387

Name: ∆9(11)-Estradiol
Brand: Angene Chemical
SKU: AG00G387

791-69-5 | ∆9(11)-Estradiol

Chemical structure of ∆9(11)-Estradiol, CAS 791-69-5

AG00G387

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CAS Number	791-69-5
Catalog Number	AG00G387(AGN-PC-0OI7PW)
Chemical Name	∆9(11)-Estradiol
IUPAC Name	(8S,13S,14S,17S)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,10,15-17,19-20H,2,4,6-7,9H2,1H3/t15-,16+,17+,18+/m1/s1
InChI Key	FABGTKBXHAEVKL-OWSLCNJRSA-N
MDL Number	MFCD01310752
Molecular Formula	C18H22O2
Molecular Weight	270.3661
SMILES	C[C@]12CC=C3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
UNII	99558VD54H
Synonyms	delta(9(11))-dehydro-17beta-estradiol, J 1213, J-1213, delta9,11-Estradiol, 791-69-5, 9,11-Dehydroestradiol, UNII-99558VD54H, J-1213, 99558VD54H, ZYC-1, (+)-delta9,11-Estradiol, Estradiol hemihydrate impurity D [EP], 9,11-Didehydroestradiol, Estradiol hemihydrate specified impurity D [EP], ZYC 1, Estra-1,3,5(10),9(11)-tetraene-3,17beta-diol, SCHEMBL8038320, Estradiol Hemihydrate Impurity D, DTXSID60229538, FABGTKBXHAEVKL-OWSLCNJRSA-N, Estra-1,3,5(10),9(11)-tetraene-3,17-diol, (17beta)-, Estra-1,3,5(10),9(11)-tetraene-3,17-diol, (17.beta.)-, ZINC4369814, VZ31127, J 1213, C-17021, Estra-1,3,5(10),9(11)-tetraene-3,17-diol #, Estra-1,3,5(10),9(11)-tetraene-3,17\|A-diol, (17\|A)-Estra-1,3,5(10),9(11)-tetraene-3,17-diol, (17beta)-estra-1,3,5(10),9(11)-tetraene-3,17-diol, Estra-1,3,5(10),9(11)-tetraene-3,17beta-diol (9,11-Didehydroestradiol), (8S,13S,14S,17S)-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol, (8S,13S,14S,17S)-13-methyl-7,8,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, 9-DIHYDROESTRADIOL, ?9(11)-Estradiol, \| currency9(11)-Estradiol, ZINC00173978, CID9816888, CS-O-15161,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	270.162g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	270.372g/mol
Monoisotopic Mass	270.162g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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