(-)-Mitragynine

C₂₃H₃₀N₂O₄CAS 4098-40-2398.50 g/mol

Open in Covalent MOL file

Ester Tertiary Amine

Properties

Molecular formula: C₂₃H₃₀N₂O₄
Molar mass: 398.50 g/mol
Exact mass: 398.2206 Da
Melting point: 104 °C
Boiling point: 235 °C
logP: 3.83Crippen estimate
Polar surface area: 63.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Identifiers

CAS number

4098-40-2

SMILES

CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=COC)C(=O)OC

InChIKey

LELBFTMXCIIKKX-QVRQZEMUSA-N

InChI

InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1

Weigh it out

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

Names and synonyms

7 names

Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-α-(methoxymethylene)-, methyl ester, (αE,2S,3S,12bS)-
Mitragynine
Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (16E,20β)-
Corynantheidine, 9-methoxy-
9-Methoxycorynantheidine
Mitragynin
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-α-(methoxymethylene)-, methyl ester, [2S-[2α(E),3α,12bβ]]-

Work with (-)-Mitragynine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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