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Levonorgestrel Impurity D

CAT: 1596-AR-L01573-04Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01573-04Size:250 Units
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CAS Number
32419-58-2
Synonyms
(8R,9S,10R,13S,14S,17R) -13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol; (17?) -13-Ethyl-18,19-dinorpregn-4-en-20-yn-17-ol; Levonorgestrel Impurity D (EP) ; Levonorgestrel EP Impurity D
Molecular Formula
C21H30O
Molecular Weight
298.47
API Name
Levonorgestrel

Chemical Information

Levonorgestrel EP Impurity D
CAS Number32419-58-2
PubChem CID40574150
IUPAC Name(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Molecular FormulaC21H30O
Molecular Weight298.5
XLogP4.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity537
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34
InChI
InChI=1S/C21H30O/c1-3-20-13-11-17-16-8-6-5-7-15(16)9-10-18(17)19(20)12-14-21(20,22)4-2/h2,7,16-19,22H,3,5-6,8-14H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey
MXXKGWYLIJQEBP-XUDSTZEESA-N
Chemical Structure
2D Structure
2D structure of Levonorgestrel EP Impurity D
CAS: 32419-58-2
CID: 40574150
Formula: C21H30O
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass298.229665576
Monoisotopic Mass298.229665576
Topological Polar Surface Area20.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity537
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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