AG00C33T

Name: (6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-Methyl-spiro[androsta-1,4-diene-17,5'-[1,3]oxathiolane]-2',3,4'-trione
Brand: Angene Chemical
SKU: AG00C33T

219719-95-6 | (6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-Methyl-spiro[androsta-1,4-diene-17,5'-[1,3]oxathiolane]-2',3,4'-trione

Chemical structure of (6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-Methyl-spiro[androsta-1,4-diene-17,5'-[1,3]oxathiolane]-2',3,4'-trione, CAS 219719-95-6

AG00C33T

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CAS Number	219719-95-6
Catalog Number	AG00C33T(AGN-PC-0WH3V6)
Chemical Name	(6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-Methyl-spiro[androsta-1,4-diene-17,5'-[1,3]oxathiolane]-2',3,4'-trione
IUPAC Name	(5R,6'S,8'S,9'R,10'S,11'S,13'S,14'S,16'R)-6',9'-difluoro-11'-hydroxy-10',13',16'-trimethylspiro[1,3-oxathiolane-5,17'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-2,3',4-trione
InChI	InChI=1S/C22H24F2O5S/c1-10-6-12-13-8-15(23)14-7-11(25)4-5-19(14,2)21(13,24)16(26)9-20(12,3)22(10)17(27)30-18(28)29-22/h4-5,7,10,12-13,15-16,26H,6,8-9H2,1-3H3/t10-,12+,13+,15+,16+,19+,20+,21+,22+/m1/s1
InChI Key	IYYYTOVWCWEIIH-KVNRZBMZSA-N
MDL Number	MFCD31563235
Molecular Formula	C22H24F2O5S
Molecular Weight	438.4848
SMILES	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]15OC(=O)SC5=O
UNII	EP20877CWZ
Synonyms	219719-95-6, UNII-EP20877CWZ, EP20877CWZ, (6\|A,11\|A,16\|A,17\|A)-6,9-Difluoro-11-hydroxy-16-methyl-spiro[androsta-1,4-diene-17,5'-[1,3]oxathiolane]-2',3,4'-trione, 6alpha,9alpha-Difluoro-11beta-hydroxy-16alpha-methyl-2',3,4'-trioxo-17alpha-spiro(androsta-1,4-diene-17,5'-(1,3)oxathiolane), Fluticasone Related Compound B, DTXSID10176381, IYYYTOVWCWEIIH-KVNRZBMZSA-N,

Complexity	948
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	438.131g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	438.486g/mol
Monoisotopic Mass	438.131g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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