AG01CBKH

Name: (11β,16α)-21-(Acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
Brand: Angene Chemical
SKU: AG01CBKH

25092-25-5 | (11β,16α)-21-(Acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

Chemical structure of (11β,16α)-21-(Acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, CAS 25092-25-5

AG01CBKH

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CAS Number	25092-25-5
Catalog Number	AG01CBKH(AGN-PC-0R0UKY)
Chemical Name	(11β,16α)-21-(Acetyloxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
IUPAC Name	[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate
InChI	InChI=1S/C26H34O7/c1-14(27)31-13-20(30)26-21(32-23(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-24(15,4)22(17)19(29)12-25(18,26)5/h8-10,17-19,21-22,29H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,22+,24-,25-,26+/m0/s1
InChI Key	IMVOEOHIGCNVQW-SBOGIFMKSA-N
MDL Number	MFCD20319750
Molecular Formula	C26H34O7
Molecular Weight	458.5440
SMILES	O=C1C=C[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C)[C@@]3([H])C[C@](OC(C)(C)O5)([H])[C@]45C(COC(C)=O)=O)=C1
UNII	45JZL0UFSD
Synonyms	Desonide 21-acetate, UNII-45JZL0UFSD, 45JZL0UFSD, 25092-25-5, SCHEMBL11321819, 11b,21-Dihydroxy-16a,17a-isopropylidenedioxy-1,4-pregnadiene-3,20-dione-21-acetate, Pregna-1,4-diene-3,20-dione, 11beta,16alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-acetate, Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-, Acetyldesonide, CS-O-11809,

Complexity	979
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	458.23g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	458.551g/mol
Monoisotopic Mass	458.23g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	99.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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