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Chemical structure of Neoquassin

GC70537

Neoquassin

Also known as (1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione

Neoquassin is found in Picrasma quassioides

ChemicalCAS76-77-7MW390.47FormulaC22H30O6
CAS number
76-77-7
Molecular weight
390.47
Formula
C22H30O6
InChIKey
BDQNCUODBJZKIY-NUPPOKJBSA-N
Catalogue number
GC70537
Brand
GLPBIO
Computed properties PubChem CID 72964 · XLogP 2.2 · TPSA 82.1 Ų · H-bond donors 1
XLogP
2.2
TPSA
82.1 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28

SMILES C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(O3)O)C)OC)C)C)OC

Computed descriptors from PubChem (CID 72964), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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