Chem
J-GLOBAL ID：200907022577040501   Nikkaji number：J1.987.758B

7-Deacetoxyyanuthone A

7-デアセトキシヤヌトンA
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： C23H34O3
Molecular formula furigana： C23-H34-O3
Molecular weight： 358.522
InChI： InChI=1S/C23H34O3/c1-6-19-15-20(24)23(22(26-23)21(19)25)14-13-18(5)12-8-11-17(4)10-7-9-16(2)3/h9,11,13,15,21-22,25H,6-8,10,12,14H2,1-5H3/b17-11+,18-13+/t21-,22-,23+/m1/s1
InChI key： BMDMRPRGJZSKOI-BVNLDUDUSA-N
SMILES： CCC1=CC(=O)[C@]2(C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O[C@@H]2[C@@H]1O
Systematic name  (3)：
  • (1R,5R,6R)-1α-[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]-4-エチル-5β-ヒドロキシ-7-オキサビシクロ[4.1.0]ヘプタ-3-エン-2-オン
  • (1R,5R,6R)-4-エチル-5-ヒドロキシ-1-[(2E,6E)-3,7,11-トリメチルドデカ-2,6,10-トリエン-1-イル]-7-オキサビシクロ[4.1.0]ヘプタ-3-エン-2-オン
  • (1R,5R,6R)-4-ethyl-5-hydroxy-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
Other name (3)：
  • (1R,5R,6R)-1α-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]-4-ethyl-5β-hydroxy-7-oxabicyclo[4.1.0]hepta-3-ene-2-one
  • 7-Deacetoxyyanuthone A
  • 7-デアセトキシヤヌトンA
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