trans-Pellitorin

Catalog Number	ACM639086183
CAS Number	639086-18-3
Synonyms	(E,E)-2,4-Decadienoic isobutylamide
IUPAC Name	(2E,4Z)-N-(2-Methylpropyl)deca-2,4-dienamide
Molecular Weight	223.35
Molecular Formula	C14H25NO
Canonical SMILES	CCCCCC=CC=CC(=O)NCC(C)C
InChI	InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8-,11-10+
InChI Key	MAGQQZHFHJDIRE-QNRZBPGKSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	229
Exact Mass	223.193614421
Heavy Atom Count	16
Isomeric SMILES	CCCCC/C=C\C=C\C(=O)NCC(C)C
Monoisotopic Mass	223.193614421
Topological Polar Surface Area	29.1Ų

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