1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) heptanoate

2.1.2 InChI

InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3

2.1.3 InChI Key

TXUICONDJPYNPY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4C3(C(=CC(=O)C4)C)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Stannouschloride

2. Dtxsid70859320

3. Androst-1-en-3-one, 1-methyl-17-[(1-oxoheptyl)oxy]-, (5.alpha.,17.beta.)-

4. Ft-0654870

5. Testosterone, 1-dehydro-4,5.alpha.-dihydro-1-methyl-, Heptanoate

6. 1-methyl-3-oxoandrost-1-en-17-yl Heptanoate-, (5.alpha.,17.beta.)- #

7. 17.beta.-hydroxy-1-methyl-5.alpha.-androst-1-en-3-one 17-heptanoate

8. 5.alpha.-androst-1-en-3-one, 17.beta.-hydroxy-1-methyl-, Heptanoate

2.3 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₄₂O₃
Molecular Weight	414.6 g/mol
XLogP3	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	414.31339520 g/mol
Monoisotopic Mass	414.31339520 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	709
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Methenolone Enanthate