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
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
3 Chemical and Physical Properties
| Molecular Weight |
416.6 g/mol |
| Molecular Formula |
C27H44O3
|
| XLogP3 | 7.3 |
|---|
| Hydrogen Bond Donor Count | 0 |
|---|
| Hydrogen Bond Acceptor Count | 3 |
|---|
| Rotatable Bond Count | 7 |
|---|
| Exact Mass | 416.32904526 g/mol |
|---|
| Monoisotopic Mass | 416.32904526 g/mol |
|---|
| Topological Polar Surface Area | 43.4 Ų |
|---|
| Heavy Atom Count | 30 |
|---|
| Formal Charge | 0 |
|---|
| Complexity | 657 |
|---|
| Isotope Atom Count | 0 |
|---|
| Defined Atom Stereocenter Count | 8 |
|---|
| Undefined Atom Stereocenter Count | 0 |
|---|
| Defined Bond Stereocenter Count | 0 |
|---|
| Undefined Bond Stereocenter Count | 0 |
|---|
| Covalently Bonded Unit Count | 1 |
|---|
