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Levonorgestrel Impurity 11

CAT: 1299-RM-L221531-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L221531-02Size:25 mg
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CAS Number
799-43-9
Synonyms
18,19-Dinor-17α-pregna-2,5 (10) -dien-20-yn-17-ol, 13-ethyl-3-methoxy-, (±) -
Molecular Formula
C22H30O2
Molecular Weight
326.48
Target Alternative Name
Levonorgestrel
Product Name Synonym
18,19-Dinor-17α-pregna-2,5 (10) -dien-20-yn-17-ol,13-ethyl-3-methoxy-, (±) -

Chemical Information

13-Ethyl-3-methoxy-18,19-dinorpregna-2,5(10)-dien-20-yn-17-ol, (17alpha)-
CAS Number799-43-9
PubChem CID101857
IUPAC Name(8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
Molecular FormulaC22H30O2
Molecular Weight326.5
XLogP3.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity648
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CC=C(C4)OC
InChI
InChI=1S/C22H30O2/c1-4-21-12-10-18-17-9-7-16(24-3)14-15(17)6-8-19(18)20(21)11-13-22(21,23)5-2/h2,7,18-20,23H,4,6,8-14H2,1,3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey
CQXCBGIFQZKDED-AANPDWTMSA-N
Chemical Structure
2D Structure
2D structure of 13-Ethyl-3-methoxy-18,19-dinorpregna-2,5(10)-dien-20-yn-17-ol, (17alpha)-
CAS: 799-43-9
CID: 101857
Formula: C22H30O2
MW: 326.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass326.224580195
Monoisotopic Mass326.224580195
Topological Polar Surface Area29.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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