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D-Ethyl Gonendione

CAT: 0572-TRC-E918600-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E918600-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21800-83-9
Synonyms
13-Ethylgon-4-ene-3,17-dione; Levonorgestrel Imp. L (Pharmeuropa); Levodione; 18-Methyl-19-norandrost-4-ene-3,17-dione; Levonorgestrel Imp. L (EP); Norgestrel Related Compound L; Levonorgestrel Impurity L
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
Molecular Formula
C19 H26 O2
Molecular Weight
286.41
InChI
InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1
Additionnal Information
IUPAC name: (8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

13-Ethylgon-4-ene-3,17-dione

impurity found in Chinese norgestrel; RN given refers to cpd without isomeric designation

CAS Number21800-83-9
PubChem CID10379264
IUPAC Name(8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC19H26O2
Molecular Weight286.4
XLogP2.8
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity518
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1
InChIKey
SBLHOJQRZNGHLQ-ATIFRJIPSA-N
Chemical Structure
2D Structure
2D structure of 13-Ethylgon-4-ene-3,17-dione
CAS: 21800-83-9
CID: 10379264
Formula: C19H26O2
MW: 286.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass286.193280068
Monoisotopic Mass286.193280068
Topological Polar Surface Area34.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity518
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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