AG00JO4F

Name: (11α,16α)-9,11-Epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Brand: Angene Chemical
SKU: AG00JO4F

14622-47-0 | (11α,16α)-9,11-Epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

AG00JO4F

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CAS Number	14622-47-0
Catalog Number	AG00JO4F(AGN-PC-0PYDLK)
Chemical Name	(11α,16α)-9,11-Epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
IUPAC Name	(1R,2S,10S,11S,13R,14R,15S,17R)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
InChI	InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18-,19+,20+,21+,22+/m1/s1
InChI Key	GBDXNHBVYAMODG-HGBIFODKSA-N
MDL Number	MFCD09038712
Molecular Formula	C22H28O5
Molecular Weight	372.4547
SMILES	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]35O[C@@H]5C[C@]2(C)[C@@]1(O)C(=O)CO
Synonyms	14622-47-0, ZINC3982461, AKOS032428548, MCULE-6700943071, (11\|A,16\|A)-9,11-Epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione, 16alpha-methyl epoxide(db-11), ZINC03982461, CID7067877,

Complexity	814
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	372.194g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	372.461g/mol
Monoisotopic Mass	372.194g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited