Metabolites-BOC Sciences

Achaetolide

Achaetolide

Catalog number: BBF-00010

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Catalog Number BBF-00010
Description Achaetolide is an internal vinegar compound isolated from the Achaetamium cristalliferum PC 3252, A. strumarium (IMI 82624). Achaetolide has the effect of improving the transpiration of cut barley leaves.
Molecular Formula C15H26O5
Molecular Weight 286.37
Synonyms (3S,6R,7S,9R)-3,6,7,9-Tetrahydroxy-4-hexadecenoic acid 1,9-lactone
IUPAC Name (2R,4S,5R,6E,8S)-2-heptyl-4,5,8-trihydroxy-2,3,4,5,8,9-hexahydrooxecin-10-one
Canonical SMILES CCCCCCCC1CC(C(C=CC(CC(=O)O1)O)O)O
InChI InChI=1S/C16H28O5/c1-2-3-4-5-6-7-13-11-15(19)14(18)9-8-12(17)10-16(20)21-13/h8-9,12-15,17-19H,2-7,10-11H2,1H3/b9-8+/t12-,13-,14-,15+/m1/s1
InChI Key LAXPXFNVDQZXJE-ZVLUIJSYSA-N
Melting Point 122°C
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