chempirical

Homoharringtonine

C29H39NO9CAS 26833-87-4545.63 g/mol

Open in Covalent MOL file
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AcetalAlcoholAlkeneEsterEtherTertiary amine

Properties

Molecular formula
C29H39NO9
Molar mass
545.63 g/mol
Exact mass
545.2625 Da
logP
2.58Crippen estimate
Polar surface area
124.0 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
9
Stereocentres
R, S, R, Sin SMILES atom order

Identifiers

CAS number
26833-87-4
SMILES
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
InChIKey
HYFHYPWGAURHIV-JFIAXGOJSA-N
InChI
InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • Cephalotaxine, 3-[4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate]
  • Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester)
  • NSC 141633
  • Ceflatonin
  • Myelostat
  • Omacetaxine mepesuccinate
  • CGX 635
  • Synribo
  • (-)-Homoharringtonine

Work with Homoharringtonine

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

Harringtonine26833-85-295 % similar Cephalotaxine24316-19-660 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook