Des-methylformate eplerenone

CAT: 0926-ACA39427-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-ACA39427-01Size:25 mg

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CAS Number

50394-27-9

Smiles

CC12CCC (=O) C=C1CCC3C24C (O4) CC5 (C3CCC56CCC (=O) O6) C

Molecular Formula

C22H28O4

Molecular Weight

356.5 g/mol

Controlled

Chemical Information

Pregn-4ene 11A-epoxylactone deriv

CAS Number	50394-27-9
PubChem CID	23276722
IUPAC Name	2,15-dimethylspiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,5'-oxolane]-2',5-dione
Molecular Formula	C22H28O4
Molecular Weight	356.5
XLogP	1.9
Topological Polar Surface Area	55.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	0
Complexity	770

SMILES

CC12CCC(=O)C=C1CCC3C24C(O4)CC5(C3CCC56CCC(=O)O6)C

InChI

InChI=1S/C22H28O4/c1-19-8-5-14(23)11-13(19)3-4-16-15-6-9-21(10-7-18(24)26-21)20(15,2)12-17-22(16,19)25-17/h11,15-17H,3-10,12H2,1-2H3

InChIKey

PKEDSINSHNDWPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50394-27-9

CID: 23276722

Formula: C22H28O4

MW: 356.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.5
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	356.19875937
Monoisotopic Mass	356.19875937
Topological Polar Surface Area	55.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	770
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FP22747-01	Eplerenone
JIA25381-01	7β-Eplerenone
FE22748-01	Eplerenone hydroxyacid potassium salt
BE164415	Eplerenone - Bio-X TM
70R-16804	DES antibody
VAC-00379-01	[Des-Arg30, Des-Pro31]-Dendroaspis Natriuretic Peptide
IBK-4097-V	Des-Pro2-Bradykinin
PWC81821-01	Silthiofam-des (trimethylsilyl)
PBK-4303-V	Des-Arg10-Kallidin
PBK-4303	Des-Arg10-Kallidin

Catalog	Name
TRC-D293955-10MG	Des-methylformate Eplerenone
D293960	Des-cyclohexenone Dihydrooxepinone Eplerenone (>80%)
S-2495	Methylformate
sc-203943	Eplerenone