chempirical

Isocorynoxeine

C22H26N2O4CAS 51014-29-0382.46 g/mol

Open in Covalent MOL file
NOHNOOO
AlkeneEsterEtherTertiary amine

Properties

Molecular formula
C22H26N2O4
Molar mass
382.46 g/mol
Exact mass
382.1893 Da
logP
3.13Crippen estimate
Polar surface area
71.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
R, S, S, Sin SMILES atom order

Identifiers

CAS number
51014-29-0
SMILES
C=C[C@H]1CN2CC[C@@]3(C(O)=Nc4ccccc43)[C@@H]2C[C@@H]1/C(=COC)C(=O)OC
InChIKey
MUVGVMUWMAGNSY-VKCGGMIFSA-N
InChI
InChI=1S/C22H26N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • Spiro[3H-indole-3,1′(5′H)-indolizine]-7′-acetic acid, 6′-ethenyl-1,2,2′,3′,6′,7′,8′,8′a-octahydro-α-(methoxymethylene)-2-oxo-, methyl ester, (αE,1′S,6′R,7′S,8′aS)-
  • Corynoxan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-2-oxo-, methyl ester, (16E,20α)-
  • Spiro[3H-indole-3,1′(5′H)-indolizine]-7′-acetic acid, 6′-ethenyl-1,2,2′,3′,6′,7′,8′,8′a-octahydro-α-(methoxymethylene)-2-oxo-, methyl ester, [1′S-[1′α,6′α,7′β(E),8′aα]]-
  • 7-Isocorynoxeine

Work with Isocorynoxeine

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

7-Isorhyncophylline6859-01-477 % similar Corynoxine6877-32-377 % similar Rhynchophylline76-66-477 % similar Mitraphylline509-80-871 % similar Hirsuteine35467-43-749 % similar (-)-Mitragynine4098-40-232 % similar Ajmalicine483-04-532 % similar Tetrahydroalstonine6474-90-432 % similar

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

Same formula

Tofisopam22345-47-7 Corynoxeine630-94-4 Phenylmethyl N-[(1S)-1-[[(1-formyl-2-phenylethyl)amino]carbonyl]-2-methylpropyl]carbamate88191-84-8

Elsewhere

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