Geissoschizine methyl ether

C₂₂H₂₆N₂O₃CAS 60314-89-8366.46 g/mol

Open in Covalent MOL file

Alkene Ester Ether Tertiary amine

Properties

Molecular formula: C₂₂H₂₆N₂O₃
Molar mass: 366.46 g/mol
Exact mass: 366.1943 Da
logP: 3.74Crippen estimate
Polar surface area: 54.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order
Double bonds: E, ZE/Z, in SMILES order

Identifiers

CAS number

60314-89-8

SMILES

C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC

InChIKey

VAMJZLUOKJRHOW-XEASWFAXSA-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/h4-8,13,17,20,23H,9-12H2,1-3H3/b14-4-,18-13-/t17-,20-/m0/s1

Weigh it out

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

Names and synonyms

4 names

Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, (αZ,2S,3E,12bS)-
Corynan-16-carboxylic acid, 16,17,19,20-tetradehydro-17-methoxy-, methyl ester, (16Z,19E)-
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethylidene-1,2,3,4,6,7,12,12b-octahydro-α-(methoxymethylene)-, methyl ester, [2S-[2α(Z),3E,12bβ]]-
O-Methyl-16Z-geissoschizine

Work with Geissoschizine methyl ether

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

Ajmalicine483-04-557 % similar Tetrahydroalstonine6474-90-457 % similar (-)-Mitragynine4098-40-249 % similar Yohimbine146-48-548 % similar Rauwolscine hydrochloride6211-32-146 % similar Yohimbine hydrochloride65-19-046 % similar Catharanthine2468-21-539 % similar Deserpidine131-01-139 % similar

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

Same formula

Hirsuteine35467-43-7

Elsewhere

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