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Overview

Client Email Product
13-Ethyl-11-Methylidenegon-4-En-17-One
PharmaCompass
13-Ethyl-11-Methylidenegon-4-En-17-One
Also known as: Unii-8i5jc3o57t, 13-ethyl-11-methylene-gon-4-en-17-one, 13b-ethyl-11-methylenegon-4-en-17-one, (8s,9s,10r,13s,14s)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, Desogestrel ep impurity c, 8i5jc3o57t
Molecular Formula
C20H28O
Molecular Weight
284.443  g/mol
InChI Key
KVNYZZFGXXHVMG-CAVMOMJPSA-N
FDA UNII
8I5JC3O57T

1 2D Structure

13-Ethyl-11-Methylidenegon-4-En-17-One

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(8S,9S,10R,13S,14S)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
2.1.2 InChI
InChI=1S/C20H28O/c1-3-20-12-13(2)19-15-7-5-4-6-14(15)8-9-16(19)17(20)10-11-18(20)21/h6,15-17,19H,2-5,7-12H2,1H3/t15-,16-,17-,19+,20-/m0/s1
2.1.3 InChI Key
KVNYZZFGXXHVMG-CAVMOMJPSA-N
2.1.4 Canonical SMILES
CCC12CC(=C)C3C(C1CCC2=O)CCC4=CCCCC34
2.1.5 Isomeric SMILES
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34
2.2 Other Identifiers
2.2.1 UNII
8I5JC3O57T
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Unii-8i5jc3o57t

2. 13-ethyl-11-methylene-gon-4-en-17-one

3. 13b-ethyl-11-methylenegon-4-en-17-one

4. (8s,9s,10r,13s,14s)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

5. Desogestrel Ep Impurity C

6. 8i5jc3o57t

7. Schembl6689499

8. Ctk1g7999

9. Zinc22059087

10. Akos025290382

11. 18-methyl-11-methylene-4eh-17-one

12. Aj-80868

13. 13-ethyl-11-methylene-gon-4-ene-17-one

14. 13

15. A-ethyl-11-methylenegon-4-en-17-one

16. 13beta-ethyl-11-methylenegona-4-ene-17-one

17. 024e214

18. Q-102814

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 284.443 g/mol
Molecular Formula C20H28O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass284.214 g/mol
Monoisotopic Mass284.214 g/mol
Topological Polar Surface Area17.1 A^2
Heavy Atom Count21
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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