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Chemistry

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Also known as: 13425-31-5, [(2r,5s,8r,9s,10s,13s,14s,17s)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] heptanoate, Dromostanolone enanthate, Schembl17433518, Dtxsid20928535, Mfcd08457898
Molecular Formula
C27H44O3
Molecular Weight
416.6  g/mol
InChI Key
ZNYZYASFVYLKPE-PCWAKFEDSA-N

Drostanolone Enanthate
1 2D Structure

Drostanolone Enanthate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
2.1.2 InChI
InChI=1S/C27H44O3/c1-5-6-7-8-9-25(29)30-24-13-12-21-20-11-10-19-16-23(28)18(2)17-27(19,4)22(20)14-15-26(21,24)3/h18-22,24H,5-17H2,1-4H3/t18-,19+,20+,21+,22+,24+,26+,27+/m1/s1
2.1.3 InChI Key
ZNYZYASFVYLKPE-PCWAKFEDSA-N
2.1.4 Canonical SMILES
CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)C)C)C
2.1.5 Isomeric SMILES
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 13425-31-5

2. [(2r,5s,8r,9s,10s,13s,14s,17s)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] Heptanoate

3. Dromostanolone Enanthate

4. Schembl17433518

5. Dtxsid20928535

6. Mfcd08457898

7. Zinc39370067

8. Fd10461

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 416.6 g/mol
Molecular Formula C27H44O3
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass416.32904526 g/mol
Monoisotopic Mass416.32904526 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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