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Progesterone EP Impurity F

CAT: 1299-RM-P156506-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P156506-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2257421-78-4
Synonyms
(8S,9S,10R,13S,14S,17S) -17- (2- (cyclohex-1-en-1-yl) acetyl) -10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one
Molecular Formula
C27H38O2
Molecular Weight
394.59
Target Alternative Name
Progesterone
Product Name Synonym
(8S,9S,10R,13S,14S,17S) -17- (2- (cyclohex-1-en-1-yl) acetyl) -10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one

Chemical Information

Progesterone EP Impurity F
CAS Number2257421-78-4
PubChem CID165348664
IUPAC Name(8S,9S,10R,13S,14S,17S)-17-[2-(cyclohexen-1-yl)acetyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC27H38O2
Molecular Weight394.6
XLogP5.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity773
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CC4=CCCCC4)CCC5=CC(=O)CC[C@]35C
InChI
InChI=1S/C27H38O2/c1-26-14-12-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)25(29)16-18-6-4-3-5-7-18/h6,17,21-24H,3-5,7-16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1
InChIKey
RAJWXTLQYVWAOD-YNHSGCSHSA-N
Chemical Structure
2D Structure
2D structure of Progesterone EP Impurity F
CAS: 2257421-78-4
CID: 165348664
Formula: C27H38O2
MW: 394.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.6
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass394.287180451
Monoisotopic Mass394.287180451
Topological Polar Surface Area34.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity773
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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