Pleuromutilin

C22H34O5CAS 125-65-5378.51 g/mol

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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

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

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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