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Chemical structure of Salvinorin A Propionate

GC44870

Salvinorin A Propionate

Also known as methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-propanoyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

Salvinorin A propionate is a selective partial agonist at κ1-opioid receptors (KOR) with a Ki value of 32·6 nM

ChemicalCAS689295-71-4MW446.5FormulaC24H30O8
CAS number
689295-71-4
Molecular weight
446.5
Formula
C24H30O8
Solubility
Acetonitrile： 1 mg/ml,DMF： 2 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 1 mg/ml
InChIKey
UPFVFWZGNRKYFG-ZWLNRFIDSA-N
Catalogue number
GC44870
Brand
GLPBIO
Computed properties PubChem CID 644177 · XLogP 3 · TPSA 109 Ų · H-bond donors 0
XLogP
3
TPSA
109 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
32

SMILES CCC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC

Computed descriptors from PubChem (CID 644177), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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