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(+)-cis,trans-Abscisic Acid-[d6]

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General Information
Catalog: BLP-000390
CAS: 721948-65-8
Molecular Formula: C15H14D6O4
Molecular Weight: 270.35

Chemical Structure

Synonyms	(+)-cis,trans-Abscisic Acid-d6
IUPAC Name	(2Z,4E)-3-methyl-5-[(1S)-3,5,5-trideuterio-1-hydroxy-6,6-dimethyl-4-oxo-2-(trideuteriomethyl)cyclohex-2-en-1-yl]penta-2,4-dienoic acid
Related CAS	21293-29-8 (unlabelled)
Canonical SMILES	CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C
InChI	InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1/i2D3,8D,9D2
InChI Key	JLIDBLDQVAYHNE-CKOUZVSSSA-N
Melting Point	161-163°C
Solubility	Soluble in DMSO, Ethanol, Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C