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Chemical structure of Deserpidine

GC38768

Deserpidine

Also known as methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Deserpidine (Harmonyl) is an alkaloid isolated from the root of Rauwolfia canescens related to Reserpine

ChemicalCAS131-01-1MW578.65FormulaC32H38N2O8
CAS number
131-01-1
Molecular weight
578.65
Formula
C32H38N2O8
Solubility
DMSO： 100 mg/mL (172·82 mM)
InChIKey
CVBMAZKKCSYWQR-WCGOZPBSSA-N
Catalogue number
GC38768
Brand
GLPBIO
Computed properties PubChem CID 8550 · XLogP 4.1 · TPSA 109 Ų · H-bond donors 1
XLogP
4.1
TPSA
109 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
42

SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

Computed descriptors from PubChem (CID 8550), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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