chempirical

Dihydrolycorine

C16H19NO4CAS 6271-21-2289.33 g/mol

Open in Covalent MOL file
NOHHOOO
AcetalAlcoholEtherTertiary amine

Properties

Molecular formula
C16H19NO4
Molar mass
289.33 g/mol
Exact mass
289.1314 Da
logP
0.83Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0
Stereocentres
S, R, R, S, Sin SMILES atom 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
6271-21-2
SMILES
C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2[C@H]1C[C@@H]([C@H]5O)O)OCO4
InChIKey
VJILFEGOWCJNIK-MGRBZGILSA-N
InChI
InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11+,14+,15-,16-/m1/s1

Weigh it out

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

Work with Dihydrolycorine

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

Lycorine476-28-847 % similar Lycorine hydrochloride2188-68-345 % similar Chelidonine476-32-436 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook