chempirical

Oleandrin

C32H48O9CAS 465-16-7576.73 g/mol

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AcetalAlcoholAlkeneEsterEtherLactone

Properties

Molecular formula
C32H48O9
Molar mass
576.73 g/mol
Exact mass
576.3298 Da
Melting point
250 °C
Water solubility
practically insoluble
logP
3.68Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
5
Stereocentres
S, R, S, S, R, R, S, R, R, S, S, S, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)Health Hazard (GHS08)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P319, P320, P321, P330, P403+P233, P405, P501

Identifiers

CAS number
465-16-7
SMILES
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@@H](C)[C@@H]1O
InChIKey
JLPDBLFIVFSOCC-XYXFTTADSA-N
InChI
InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1

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

Names and synonyms

10 names
  • Card-20(22)-enolide, 16-(acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14-hydroxy-, (3β,5β,16β)-
  • (3β,5β,16β)-16-(Acetyloxy)-3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
  • Corrigen
  • Foliandrin
  • Folinerin
  • Oleandrine
  • Neriol
  • Neriostene
  • Neriolin
  • Oleandrigenin 3-O-α-L-oleandroside

Work with Oleandrin

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

Digitoxin71-63-659 % similar Lanatoside C17575-22-354 % similar Periplocin13137-64-950 % similar Deslanoside17598-65-149 % similar Digitoxigenin143-62-447 % similar Bufotalin471-95-444 % similar Digoxigenin1672-46-440 % similar Tenacissimoside A191729-43-838 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia