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D-(-)-Norgestrel 17-Acetate

CAT: 0572-TRC-N689560-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N689560-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13732-69-9
Synonyms
13β-Ethyl-3-oxo-18,19-dinor-17α-pregn-4-en-20-yn-17-yl Acetate (Levonorgestrel Acetate); Levonorgestrel Acetate; Norgestimate Imp. A (EP); Norgestimate USP Related Compound A; Norgestimate USP RC A; 13beta-Ethyl-3-oxo-18,19-dinor-17alpha-pregn-4-en-20-yn-17-yl Acetate; Norgestimate Related Compound A; Norgestimate Impurity A
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(OC(=O)C)C#C
Molecular Formula
C23 H30 O3
Molecular Weight
354.48
InChI
InChI=1S/C23H30O3/c1-4-22-12-10-19-18-9-7-17(25)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)26-15(3)24/h2,14,18-21H,4,6-13H2,1,3H3/t18-,19+,20+,21-,22-,23-/m0/s1
Additionnal Information
IUPAC name: [(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Levonorgestrel Acetate

See also: Levonorgestrel (has active moiety).

CAS Number13732-69-9
PubChem CID62954
IUPAC Name[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H30O3
Molecular Weight354.5
XLogP3.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity710
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C23H30O3/c1-4-22-12-10-19-18-9-7-17(25)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)26-15(3)24/h2,14,18-21H,4,6-13H2,1,3H3/t18-,19+,20+,21-,22-,23-/m0/s1
InChIKey
YDQDJLTYVZAOQX-GOMYTPFNSA-N
Chemical Structure
2D Structure
2D structure of Levonorgestrel Acetate
CAS: 13732-69-9
CID: 62954
Formula: C23H30O3
MW: 354.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass354.21949481
Monoisotopic Mass354.21949481
Topological Polar Surface Area43.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity710
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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