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Chemical structure of Mitoridine

GC69470

Mitoridine

Also known as (9R,12R,13Z,16S,17S)-13-ethylidene-6-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-one

Mitoridine is an indole alkaloid compound isolated from the stem bark of Rauwolfia cumminsii Stapf

ChemicalCAS3911-19-1MW322.4FormulaC20H22N2O2
CAS number
3911-19-1
Molecular weight
322.4
Formula
C20H22N2O2
Solubility
DMSO ： 20 mg/mL (62·03 mM; ultrasonic and warming and heat to 60°C)
InChIKey
VVLPFXAEVKKWTK-JTJLKIRNSA-N
Catalogue number
GC69470
Brand
GLPBIO
Computed properties PubChem CID 101297641 · XLogP 1.6 · TPSA 43.8 Ų · H-bond donors 1
XLogP
1.6
TPSA
43.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
24

SMILES C/C=C/1\CN2[C@H]3CC45[C@H](C2C[C@@H]1[C@@H]3C4=O)N(C6=C5C=CC=C6O)C

Computed descriptors from PubChem (CID 101297641), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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