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Norethisterone EP Impurity G

CAT: 1299-RM-N152707-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N152707-01Size:10 mg
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CAS Number
38673-36-8
Synonyms
(8R,9S,10R,13S,14S,17S) -17-ethynyl-17-hydroxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one
Molecular Formula
C20H26O2
Molecular Weight
298.42
Target Alternative Name
Norethisterone
Product Name Synonym
(8R,9S,10R,13S,14S,17S) -17-ethynyl-17-hydroxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one

Chemical Information

17-Hydroxy-19-norpregn-4-en-20-yn-3-one

See also: Norethindrone (annotation moved to).

CAS Number38673-36-8
PubChem CID9839243
IUPAC Name(8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC20H26O2
Molecular Weight298.4
XLogP3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity594
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20+/m0/s1
InChIKey
VIKNJXKGJWUCNN-JBKQDOAHSA-N
Chemical Structure
2D Structure
2D structure of 17-Hydroxy-19-norpregn-4-en-20-yn-3-one
CAS: 38673-36-8
CID: 9839243
Formula: C20H26O2
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass298.193280068
Monoisotopic Mass298.193280068
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity594
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