Rac 8'-acetylene abscisic acid methyl ester

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Catalog Number
ACM192987965
Product Name
Rac 8'-acetylene abscisic acid methyl ester
Structure
Structure
CAS
192987-96-5
Category
Heterocyclic Organic Compound
Synonyms
(2Z,4E)-rel-5-[(1R,6R)-6-ethynyl-1-hydroxy-2,6-dimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic Acid Methyl Ester; PBI 429
IUPAC Name
methyl (2Z,4E)-5-[(1R,6R)-6-ethynyl-1-hydroxy-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate
Molecular Weight
288.34
Molecular Formula
C17H20O4
Canonical SMILES
CC1=CC(=O)CC(C1(C=CC(=CC(=O)OC)C)O)(C)C#C
InChI Key
AIBVECHZVPKHDS-JQOGSSFGSA-N
Exact Mass
288.13600
H-Bond Acceptor
4
H-Bond Donor
1
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