Chem
J-GLOBAL ID：200907024522240270   Nikkaji number：J1.012.673H

Isochromophilone II

イソクロモフィロンII
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： C22H27ClO4
Molecular formula furigana： C22-H27-CL-O4
Molecular weight： 390.900
InChI： InChI=1S/C22H27ClO4/c1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+/t13-,19+,22+/m0/s1
InChI key： QEPMTPAOVMUVBT-VOQBEJNXSA-N
SMILES： CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@H](CC(=O)C)C2=CO1
Systematic name  (3)：
  • 3-[(1E,3E,5S)-3,5-ジメチル-1,3-ヘプタジエニル]-5-クロロ-7-メチル-7α-ヒドロキシ-8α-(2-オキソプロピル)-7,8-ジヒドロ-6H-2-ベンゾピラン-6-オン
  • (7R,8R)-5-クロロ-3-[(1E,3E,5S)-3,5-ジメチルヘプタ-1,3-ジエン-1-イル]-7-ヒドロキシ-7-メチル-8-(2-オキソプロピル)-7,8-ジヒドロ-6H-イソクロメン-6-オン
  • (7R,8R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-8-(2-oxopropyl)-7,8-dihydro-6H-isochromen-6-one
Other name (3)：
  • 3-[(1E,3E,5S)-3,5-Dimethyl-1,3-heptadienyl]-5-chloro-7-methyl-7α-hydroxy-8α-(2-oxopropyl)-7,8-dihydro-6H-2-benzopyran-6-one
  • イソクロモフィロンII
  • Isochromophilone II
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