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Chemical structure of Deoxyfusapyrone

GC41092

Deoxyfusapyrone

Also known as 3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9E)-3-hydroxy-2,6,8,10,12-pentamethyloctadeca-4,6,9-trien-2-yl]pyran-2-one

Deoxyfusapyrone is an α-pyrone fungal metabolite originally isolated from F

ChemicalCAS156856-32-5MW590.8FormulaC34H54O8
CAS number
156856-32-5
Molecular weight
590.8
Formula
C34H54O8
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
MRMMGDLQIQYRDA-CKYNMZOQSA-N
Catalogue number
GC41092
Brand
GLPBIO
Computed properties PubChem CID 54724541 · XLogP 6.6 · TPSA 137 Ų · H-bond donors 5
XLogP
6.6
TPSA
137 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
42

SMILES CCCCCCC(C)C/C(=C/C(C)/C=C(\C)/C=C/C(C(C)(C)C1=CC(=C(C(=O)O1)[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O)O)O)/C

Computed descriptors from PubChem (CID 54724541), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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