Name: Name:Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-dichloro-17-hydroxy-, (11b)-
Brand: Angene
SKU: AG00519D
Rating: 90 (10 reviews)

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-dichloro-17-hydroxy-, (11b)-

CAS No.:

79-61-8

Catalog Number:

AG00519D

Molecular Formula:

C23H28Cl2O5

Molecular Weight:

455.3714

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

In Stock USA

United States

$100

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Product Description

Catalog Number:

AG00519D

Chemical Name:

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9,11-dichloro-17-hydroxy-, (11b)-

CAS Number:

79-61-8

Molecular Formula:

C23H28Cl2O5

Molecular Weight:

455.3714

MDL Number:

MFCD00133265

IUPAC Name:

[2-[(8S,9R,10S,11S,13S,14S,17R)-9,11-dichloro-17-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

InChI:

InChI=1S/C23H28Cl2O5/c1-13(26)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(27)6-8-20(14,2)23(17,25)18(24)11-21(16,22)3/h6,8,10,16-18,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1

InChI Key:

YNNURTVKPVJVEI-GSLJADNHSA-N

SMILES:

CC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(Cl)[C@]1(C2CCC2=CC(=O)C=CC12C)Cl

EC Number:

201-213-3

UNII:

64FTA4579H

Properties

Complexity:

881

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

454.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

455.372g/mol

Monoisotopic Mass:

454.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Simultaneous analysis of twenty-one glucocorticoids in equine plasma by liquid chromatography/tandem mass spectrometry.	Rapid communications in mass spectrometry : RCM 20050101

Properties