chempirical

Pleuromutilin

C22H34O5CAS 125-65-5378.51 g/mol

Open in Covalent MOL file
OOHOOOH
AlcoholAlkeneEsterKetone

Properties

Molecular formula
C22H34O5
Molar mass
378.51 g/mol
Exact mass
378.2406 Da
Melting point
170.5 °C
logP
2.89Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3
Stereocentres
S, R, R, R, S, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
125-65-5
SMILES
C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
InChIKey
ZRZNJUXESFHSIO-BKUNHTPHSA-N
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/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 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
  • Glycolic acid, 8-ester with octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one
  • Acetic acid, hydroxy-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, [3aS-(3aα,4β,5α,6α,8β,9α,9aβ,10S*)]-
  • 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
  • 3a,9-Propano-3aH-cyclopentacyclooctene, acetic acid deriv.
  • BC 757
  • Drosophilin B
  • Antibiotic A 40104C
  • 14-Deoxy-14-[(hydroxyacetyl)oxy]mutilin
  • (+)-Pleuromutilin
  • Pleuromulin
  • NSC 121145
  • Mutilin 14-glycolate

Work with Pleuromutilin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tiamulin55297-95-571 % similar Retapamulin224452-66-871 % similar Tiamulin fumarate55297-96-665 % similar Valnemulin hydrochloride133868-46-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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