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Megestrol Acetate EP Impurity J

CAT: 1299-RM-M571810-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M571810-01Size:10 mg
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CAS Number
14994-27-5
Synonyms
(8R,9S,10R,13S,14S,17R) -17-acetyl-6,10,13-trimethyl-3-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Molecular Formula
C24H34O4
Molecular Weight
386.53
Target Alternative Name
Megestrol
Product Name Synonym
(8R,9S,10R,13S,14S,17R) -17-acetyl-6,10,13-trimethyl-3-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate

Chemical Information

6-Methyl-3,20-dioxopregn-5-en-17-yl acetate
CAS Number14994-27-5
PubChem CID54457062
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC24H34O4
Molecular Weight386.5
XLogP3
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity779
SMILES
CC1=C2CC(=O)CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1)CC[C@@]4(C(=O)C)OC(=O)C)C)C
InChI
InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h18-20H,6-13H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
InChIKey
WYYCRMBIYYRAEW-GQFGMJRRSA-N
Chemical Structure
2D Structure
2D structure of 6-Methyl-3,20-dioxopregn-5-en-17-yl acetate
CAS: 14994-27-5
CID: 54457062
Formula: C24H34O4
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass386.24570956
Monoisotopic Mass386.24570956
Topological Polar Surface Area60.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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