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Chemical structure of Herkinorin

GC43817

Herkinorin

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

Herkinorin is an analytical reference standard that is functionally categorized as an opioid

ChemicalCAS862073-77-6MW494.5FormulaC28H30O8
CAS number
862073-77-6
Molecular weight
494.5
Formula
C28H30O8
Solubility
Acetonitrile： 1 mg/ml,DMF： 1 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 2 mg/ml
InChIKey
PYDQMXRFUVDCHC-XAGHGKQISA-N
Catalogue number
GC43817
Brand
GLPBIO
Computed properties PubChem CID 11431898 · XLogP 4.2 · TPSA 109 Ų · H-bond donors 0
XLogP
4.2
TPSA
109 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
36

SMILES C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OC(=O)C4=CC=CC=C4)C)C5=COC=C5

Computed descriptors from PubChem (CID 11431898), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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