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2D Structure
Also known as: Pleuromutilin, Drosophilin b, 125-65-5, 3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl glycolate, (4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-hydroxyacetate, [(1s,2r,3s,4s,6r,7r,8r)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
Molecular Formula
C22H34O5
Molecular Weight
378.5  g/mol
InChI Key
ZRZNJUXESFHSIO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-hydroxyacetate
2.1.2 InChI
InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3
2.1.3 InChI Key
ZRZNJUXESFHSIO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Drosophilin B

2. Octahydro-5,8-dihydroxy-4,6,9,10- Tetramethyl-6-vinyl-3a,9-propano-3ah-cyclopenta- Cycloocten-1(4h)-one 8-glycolate

3. Pleuromutilin

2.2.2 Depositor-Supplied Synonyms

1. Pleuromutilin

2. Drosophilin B

3. 125-65-5

4. 3-hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl Glycolate

5. (4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-hydroxyacetate

6. [(1s,2r,3s,4s,6r,7r,8r)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate

7. Nsc121145

8. Dsstox_cid_28646

9. Dsstox_rid_82916

10. Dsstox_gsid_48720

11. Schembl217951

12. Chembl2360152

13. Amy22294

14. Tox21_113131

15. Cas-125-65-5

16. Ft-0650914

17. Q7204785

18. [(1s,2r,3s,4s,6r,7r,14r)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate

19. Tricyclo[5.4.3.0(1,8)]tetradecan-3-ol-9-one, 4-ethenyl-6-(2-hydroxyacetoxy)-2,4,7,14-tetramethyl-

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 378.5 g/mol
Molecular Formula C22H34O5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass378.24062418 g/mol
Monoisotopic Mass378.24062418 g/mol
Topological Polar Surface Area83.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)