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Chemical structure of Aspinolide B

GC91557

Aspinolide B

Also known as [(2R,3S,4E,6R,7S)-6,7-dihydroxy-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate

Aspinolide B is a polyketide synthase-derived aspinolide that has been found in T· arundinaceum and has plant growth regulatory activity

ChemicalCAS188605-15-4MW284.3FormulaC14H20O6
CAS number
188605-15-4
Molecular weight
284.3
Formula
C14H20O6
Solubility
Dichloromethane： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
UONWLSGBOITROJ-NYKMOZCUSA-N
Catalogue number
GC91557
Brand
GLPBIO
Computed properties PubChem CID 6444315 · XLogP 0.5 · TPSA 93.1 Ų · H-bond donors 2
XLogP
0.5
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

SMILES C/C=C/C(=O)O[C@H]1/C=C/[C@H]([C@H](CCC(=O)O[C@@H]1C)O)O

Computed descriptors from PubChem (CID 6444315), 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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