AG01CC73

Name: (4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-4a,6a-Dimethyl-2,5'-dioxo-2,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylic acid
Brand: Angene Chemical
SKU: AG01CC73

209253-82-7 | (4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-4a,6a-Dimethyl-2,5'-dioxo-2,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylic acid

Chemical structure of (4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-4a,6a-Dimethyl-2,5'-dioxo-2,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylic acid, CAS 209253-82-7

AG01CC73

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CAS Number	209253-82-7
Catalog Number	AG01CC73(AGN-PC-0QWRHP)
Chemical Name	(4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-4a,6a-Dimethyl-2,5'-dioxo-2,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylic acid
IUPAC Name	(1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylic acid
InChI	InChI=1S/C23H28O6/c1-20-6-3-13(24)9-12(20)10-14(19(26)27)18-15-4-7-22(8-5-17(25)29-22)21(15,2)11-16-23(18,20)28-16/h9,14-16,18H,3-8,10-11H2,1-2H3,(H,26,27)/t14-,15+,16-,18+,20+,21+,22-,23-/m1/s1
InChI Key	FLTCRAGDAAVKPG-ALROZPJCSA-N
MDL Number	MFCD01311759
Molecular Formula	C23H28O6
Molecular Weight	400.4648
SMILES	C[C@@]12[C@]34[C@]([C@]5([C@](C)(C[C@]3(O4)[H])[C@@]6(CC5)CCC(=O)O6)[H])([C@H](C(O)=O)CC1=CC(=O)CC2)[H]
UNII	082VBP8OQR
Synonyms	UNII-082VBP8OQR, 082VBP8OQR, 209253-82-7, SCHEMBL14085022, 9,11-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic acid, gamma-lactone, (7alpha,11alpha,17alpha)-, Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, gamma-lactone, (7alpha,11alpha,17alpha)-, Eplerenone EP Impurity D, FLTCRAGDAAVKPG-ALROZPJCSA-N,

Complexity	892
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	400.189g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	400.471g/mol
Monoisotopic Mass	400.189g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	93.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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