Aldehyde

C20H30O5CAS 115609-68-2350.46 g/mol

Open in Covalent MOL file
OOOHOHOH
AlcoholAldehydeAlkeneCarboxylic acid

Properties

Molecular formula
C20H30O5
Molar mass
350.46 g/mol
Exact mass
350.2093 Da
logP
3.34Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
15
Stereocentres
R, Sin SMILES atom order
Double bonds
Z, E, E, ZE/Z, in SMILES 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
115609-68-2
SMILES
C(CCC=O)C/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
InChIKey
LVLQYGYNBVIONY-PSPARDEHSA-N
InChI
InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1

Weigh it out

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

Names and synonyms

10 names
  • (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid
  • Aldehydes
  • RCHO
  • 20-Aldehyde leukotriene B4
  • 20-Oxoleukotriene B4
  • Ltb4-20-aldehyde
  • Leukotriene B4-20-aldehyde
  • 20-Oxo-leukotriene B4
  • 20Cho-LTB4
  • (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-20-oxo-6,8,10,14-eicosatetraenoic acid

Work with Aldehyde

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

Leukotriene B471160-24-277 % similar Prostaglandin F2551-11-148 % similar Prostaglandin E2363-24-646 % similar Ricinoleic acid141-22-044 % similar Dinoprost tromethamine38562-01-541 % similar trans-10-cis-12-Octadecadienoic acid2420-56-640 % similar Polyglycerol polyricinoleate29894-35-740 % similar Elaidic acid112-79-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Andrographolide5508-58-7 17-Hydroxyisolathyrol93551-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook