AG00C9QV

Name: (1S,3aS,3bR,4S,9bS,11aS)-11a-methyl-4-[9-(4,4,5,5,5-pentafluoropentanesulfinyl)nonyl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Brand: Angene Chemical
SKU: AG00C9QV

407577-53-1 | (1S,3aS,3bR,4S,9bS,11aS)-11a-methyl-4-[9-(4,4,5,5,5-pentafluoropentanesulfinyl)nonyl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

Chemical structure of (1S,3aS,3bR,4S,9bS,11aS)-11a-methyl-4-[9-(4,4,5,5,5-pentafluoropentanesulfinyl)nonyl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol, CAS 407577-53-1

AG00C9QV

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CAS Number	407577-53-1
Catalog Number	AG00C9QV(AGN-PC-0RP1I5)
Chemical Name	(1S,3aS,3bR,4S,9bS,11aS)-11a-methyl-4-[9-(4,4,5,5,5-pentafluoropentanesulfinyl)nonyl]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
IUPAC Name	(7S,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI	InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26+,27-,28-,29+,30-,41?/m0/s1
InChI Key	VWUXBMIQPBEWFH-MSCODYEVSA-N
MDL Number	MFCD24386695
Molecular Formula	C32H47F5O3S
Molecular Weight	606.7708
SMILES	C[C@@]12[C@@H](O)CC[C@H]1[C@@H]1[C@H](CC3=C([C@H]1CC2)C=CC(O)=C3)CCCCCCCCCS(CCCC(C(F)(F)F)(F)F)=O
Synonyms	Fulvestrant, 7beta-, 407577-53-1, 7\|A-Fulvestrant, Fulvestrant Impurity A, SCHEMBL7803375, DTXSID40193748, (7\|A,17\|A)-7-[9-[(4,4,5,5,5-Pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-triene-3,17-diol, 7--fulvestrant, UNII-L8HA5DT6RS, L8HA5DT6RS,

Complexity	854
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	606.317g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	606.777g/mol
Monoisotopic Mass	606.317g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	76.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	9.2

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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