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6a-Hydroxy norgestrel

CAT: 0926-FH24072-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24072-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87585-03-3
Synonyms
(6a,17a) -13-Ethyl-6,17-dihydroxy-18,19-dinorpregn-4-en-20-yn-3-one
Smiles
CC[C@]12CC[C@@H]3[C@H]4CCC (=O) C=C4[C@H] (C[C@H]3[C@@H]1CC[C@]2 (C#C) O) O
Molecular Formula
C21H28O3
Molecular Weight
328.45 g/mol
Controlled
No

Chemical Information

Levonorgestrel EP Impurity G
CAS Number87585-03-3
PubChem CID129318400
IUPAC Name(6S,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O3
Molecular Weight328.4
XLogP2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity641
SMILES
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O
InChI
InChI=1S/C21H28O3/c1-3-20-9-7-15-14-6-5-13(22)11-17(14)19(23)12-16(15)18(20)8-10-21(20,24)4-2/h2,11,14-16,18-19,23-24H,3,5-10,12H2,1H3/t14-,15-,16-,18+,19+,20+,21+/m1/s1
InChIKey
LUDPEOWAWHAHEP-QMSJUBBCSA-N
Chemical Structure
2D Structure
2D structure of Levonorgestrel EP Impurity G
CAS: 87585-03-3
CID: 129318400
Formula: C21H28O3
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass328.20384475
Monoisotopic Mass328.20384475
Topological Polar Surface Area57.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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