chempirical

Hirsuteine

C22H26N2O3CAS 35467-43-7366.46 g/mol

Open in Covalent MOL file
NNHOOO
AlkeneEsterEtherTertiary amine

Properties

Molecular formula
C22H26N2O3
Molar mass
366.46 g/mol
Exact mass
366.1943 Da
logP
3.59Crippen estimate
Polar surface area
54.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
35467-43-7
SMILES
C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1/C(=COC)C(=O)OC
InChIKey
TZUGIFAYWNNSAO-AZQGJTAVSA-N
InChI
InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20+/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, (αE,2S,3R,12bR)-
  • Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (3β,16E)-
  • Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, [2S-[2α(E),3β,12bα]]-
  • δ18-Hirsutine
  • 18,19-Didehydrohirsutine
  • 3-Epicorynantheine

Work with Hirsuteine

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

Ajmalicine483-04-569 % similar Tetrahydroalstonine6474-90-469 % similar (-)-Mitragynine4098-40-258 % similar Isocorynoxeine51014-29-049 % similar Corynoxeine630-94-449 % similar Yohimbine146-48-549 % similar Rauwolscine hydrochloride6211-32-147 % similar Yohimbine hydrochloride65-19-047 % similar

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

Same formula

Geissoschizine methyl ether60314-89-8

Elsewhere

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