1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) propanoate

2.1.2 InChI

InChI=1S/C21H30O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h12,15-19H,3-11H2,1-2H3

2.1.3 InChI Key

LGRKCTFWUWAKON-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Estr-4-en-3-one, 17-(1-oxopropoxy)-, (17.beta.)-

2. 19-nortestosterone Propionate

3. Chembl24545

4. 3-oxoestr-4-en-17-yl Propionate #

5. Db-055605

6. 17.beta.-hydroxyestr-4-en-3-one Propionate

7. Ft-0636389

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀O₃
Molecular Weight	330.5 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	330.21949481 g/mol
Monoisotopic Mass	330.21949481 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	578
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Estr-4-en-3-one, 17-(1-oxopropoxy)-, (17.beta.)-