chempirical

Harringtonine

C28H37NO9CAS 26833-85-2531.60 g/mol

Open in Covalent MOL file
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AcetalAlcoholAlkeneEsterEtherTertiary amine

Properties

Molecular formula
C28H37NO9
Molar mass
531.60 g/mol
Exact mass
531.2468 Da
logP
2.19Crippen estimate
Polar surface area
124.0 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
8
Stereocentres
R, S, R, Sin SMILES atom order

Identifiers

CAS number
26833-85-2
SMILES
COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
InChIKey
HAVJATCHLFRDHY-KSZYUSJVSA-N
InChI
InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • Cephalotaxine, 3-[4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate]
  • Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), [3(R)]-
  • Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
  • 4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine, cephalotaxine deriv.
  • Harringtonin
  • 2′R-Harringtonine
  • NSC 124147

Work with Harringtonine

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

Homoharringtonine26833-87-495 % similar Cephalotaxine24316-19-660 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook