Chem
J-GLOBAL ID：200907042011710624   Nikkaji number：J2.701.198E

Acremofuranone B

アクレモフラノン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： C23H27ClO3
Molecular formula furigana： C23-H27-CL-O3
Molecular weight： 386.920
InChI： InChI=1S/C23H27ClO3/c1-13-7-6-8-14(2)21-18(22(26)23(4,5)27-21)12-17-11-16(10-9-13)20(25)19(24)15(17)3/h8-9,11-12,21,25H,6-7,10H2,1-5H3/b13-9-,14-8-,18-12+/t21-/m1/s1
InChI key： YYGCLRAURIELKX-DUINQNMNSA-N
SMILES： Cc1c(Cl)c(O)c2C/C=C(/C)\CC/C=C(/C)\[C@H]3OC(C)(C)C(=O)/C/3=C/c1c2
Systematic name  (3)：
  • (7R,8E,12E)-5,5,8,12,18-ペンタメチル-16-ヒドロキシ-17-クロロ-6-オキサトリシクロ[13.3.1.03,7]ノナデカン-1(18),2,8,12,15(19),16-ヘキサエン-4-オン
  • (2E,7R,8Z,12Z)-17-クロロ-16-ヒドロキシ-5,5,8,12,18-ペンタメチル-6-オキサトリシクロ[13.3.1.03,7]ノナデカ-1(19),2,8,12,15,17-ヘキサエン-4-オン
  • (2E,7R,8Z,12Z)-17-chloro-16-hydroxy-5,5,8,12,18-pentamethyl-6-oxatricyclo[13.3.1.03,7]nonadeca-1(19),2,8,12,15,17-hexaen-4-one
Other name (3)：
  • (7R,8E,12E)-5,5,8,12,18-Pentamethyl-16-hydroxy-17-chloro-6-oxatricyclo[13.3.1.03,7]nonadecane-1(18),2,8,12,15(19),16-hexaene-4-one
  • アクレモフラノンB
  • Acremofuranone B
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