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Chemical structure of Isoeleutherin

GC60944

Isoeleutherin

Also known as (1S,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

Isoeleutherin is a naphthopyran derivative isolated from E

ChemicalCAS1078723-14-4MW272.3FormulaC16H16O4
CAS number
1078723-14-4
Molecular weight
272.3
Formula
C16H16O4
Solubility
DMSO ： 10 mg/mL (36·72 mM; Need ultrasonic)
InChIKey
IAJIIJBMBCZPSW-IUCAKERBSA-N
Catalogue number
GC60944
Brand
GLPBIO
Computed properties PubChem CID 101164912 · XLogP 2 · TPSA 52.6 Ų · H-bond donors 0
XLogP
2
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20

SMILES C[C@H]1CC2=C([C@@H](O1)C)C(=O)C3=C(C2=O)C=CC=C3OC

Computed descriptors from PubChem (CID 101164912), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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