chempirical

Cephalotaxine

C18H21NO4CAS 24316-19-6315.37 g/mol

Open in Covalent MOL file
ONOHOO
AcetalAlcoholAlkeneEtherTertiary amine

Properties

Molecular formula
C18H21NO4
Molar mass
315.37 g/mol
Exact mass
315.1471 Da
Melting point
131–132 °C
logP
1.79Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1
Stereocentres
R, S, Sin SMILES atom order

Identifiers

CAS number
24316-19-6
SMILES
COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1O)OCO4
InChIKey
YMNCVRSYJBNGLD-KURKYZTESA-N
InChI
InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-, [1S-(1α,3aS*,14bβ)]-
  • [1S-(1α,3aS*,14bβ)]-1,5,6,8,9,14b-Hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol
  • (-)-Cephalotaxine
  • NSC 128487
  • NSC 245454
  • ZINC 19795976

Work with Cephalotaxine

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

Harringtonine26833-85-260 % similar Homoharringtonine26833-87-460 % similar Erythraline466-77-333 % similar Bicuculline485-49-431 % similar Canadine522-97-431 % similar Corynoline18797-79-031 % similar Lycorine476-28-830 % similar (-)-Hydrastine118-08-130 % similar

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

Same formula

(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-naphthalenepropanoic acid76985-10-9

Elsewhere

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