Chem
J-GLOBAL ID：201307045889172378   Nikkaji number：J3.182.621G

Gregatin B

グレガチンB
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H18O4
Molecular formula furigana： C14-H18-O4
Molecular weight： 250.294
InChI： InChI=1S/C14H18O4/c1-5-6-7-8-9-14(3)12(15)11(10(2)18-14)13(16)17-4/h6-9H,5H2,1-4H3/b7-6+,9-8+/t14-/m1/s1
InChI key： BNZPIQOOHVBONM-PAMVGZKNSA-N
SMILES： CC/C=C/C=C/[C@@]1(C)OC(=C(C(=O)OC)C1=O)C
Systematic name  (3)：
  • (5R)-5-[(1E,3E)-1,3-ヘキサジエニル]-4,5-ジヒドロ-2,5-ジメチル-4-オキソ-3-フランカルボン酸メチル
  • メチル (5R)-5-[(1E,3E)-ヘキサ-1,3-ジエン-1-イル]-2,5-ジメチル-4-オキソ-4,5-ジヒドロフラン-3-カルボキシラート
  • methyl (5R)-5-[(1E,3E)-hexa-1,3-dien-1-yl]-2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carboxylate
Other name (7)：
  • (5R)-5-[(1E,3E)-1,3-Hexadienyl]-4,5-dihydro-2,5-dimethyl-4-oxo-3-furancarboxylic acid methyl ester
  • (+)-グレガチンB
  • (+)-Gregatin B
  • グレガチンB
  • Gregatin B
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CAS registry number： 58801-71-1
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