3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl glycolate | CAS No. 125-65-5

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

Basic Information

CAS Number

125-65-5

Molecular Formula

C22H34O5

Molecular Weight

378.51 g/mol

AD

Basic Physical Properties

Melting Point

170-1710C

Boiling Point

483

Density

1.15 (20 C)

Flash Point

158

Solubility

DMSO: >10mg/mL (warmed)

Refractive Index

1.537

Specific Rotation

D24 +20° (c = 3 in abs ethanol)

CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C

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

InChIKey

ZRZNJUXESFHSIO-UHFFFAOYSA-N

LogP

2.885200000000001

Topological Polar Surface Area

83.83 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

645

Safety Information

View Safety Information

Toxicity

LD50 in mice: >60 mg/kg (Kavanagh, 1952)

Synonyms & References

English

  • Tox21_113131
  • (3aS,4R,5S,6S,8R,9R,9aR,10R)6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopenta[8]annulen-8-yl 2-hydroxyacetate
  • Pleuromutilin
  • DTXCID501079582
  • NSC-121145
  • PLEUROMUTILIN [USP IMPURITY]
  • Antibiotic BC 757
  • Antibiotic A 40104C
  • BC-757
  • PLEUROMUTILIN [MI]
  • ACETIC ACID, 2-HYDROXY-, (3AS,4R,5S,6S,8R,9R,9AR,10R)-6-ETHENYLDECAHYDRO-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-3A,9-PROPANO-3AH-CYCLOPENTACYCLOOCTEN-8-YL ESTER
  • ACETIC ACID, HYDROXY-, (3AS,4R,5S,6S,8R,9R,9AR,10R)-6-ETHENYLDECAHYDRO-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-3A,9-PROPANO-3AH-CYCLOPENTACYCLOOCTEN-8-YL ESTER
  • Pleuromuline [INN-French]
  • A 4014C
  • 14-Deoxy-14-((hydroxyacetyl)oxy)mutilin
  • [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate
  • Drosophilin B
  • DTXSID9048720
  • PLEUROMULIN
  • Acetic acid, hydroxy-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-
  • Glycolic acid 8-ester with octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one
  • GTPL12935
  • Pleuromutilin, >=95%
  • 125-65-5
  • Pleuromulina
  • Pleuromulina [INN-Spanish]
  • UNII-3DE4A80MZ1
  • BC 757
  • CHEMBL3989485
  • Pleuromuline
  • EINECS 204-747-5

MDL Number

MFCD28154633

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