Chem
J-GLOBAL ID：201007070732445640   Nikkaji number：J2.857.996I

Penicilazaphilone A

ペニシラザフィロン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： C22H32O6
Molecular formula furigana： C22-H32-O6
Molecular weight： 392.492
InChI： InChI=1S/C22H32O6/c1-7-13(2)19-21(5,28-20(3,4)27-19)9-8-15-10-14-11-17(23)22(6,25)18(24)16(14)12-26-15/h8-11,13,16,18-19,24-25H,7,12H2,1-6H3/t13-,16-,18+,19-,21+,22-/m0/s1
InChI key： IWEMHAGFVAXHLO-UKQLHWCYSA-N
SMILES： CC[C@H](C)[C@@H]1OC(C)(C)O[C@]1(C)C=CC1=CC2=CC(=O)[C@](C)(O)[C@H](O)[C@H]2CO1
Systematic name  (3)：
  • (7R)-3-[(3R,4S,5S)-3,5-ジメチル-3,4-(イソプロピリデンビスオキシ)-1-ヘプテン-1-イル]-7-メチル-7α,8α-ジヒドロキシ-6,7,8,8aα-テトラヒドロ-1H-2-ベンゾピラン-6-オン
  • (7R,8R,8aR)-3-{2-[(4R,5S)-5-[(2S)-ブタン-2-イル]-2,2,4-トリメチル-1,3-ジオキソラン-4-イル]エテニル}-7,8-ジヒドロキシ-7-メチル-6,7,8,8a-テトラヒドロ-1H-イソクロメン-6-オン
  • (7R,8R,8aR)-3-{2-[(4R,5S)-5-[(2S)-butan-2-yl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethenyl}-7,8-dihydroxy-7-methyl-6,7,8,8a-tetrahydro-1H-isochromen-6-one
Other name (3)：
  • (7R)-3-[(3R,4S,5S)-3,5-Dimethyl-3,4-(isopropylidenebisoxy)-1-heptene-1-yl]-7-methyl-7α,8α-dihydroxy-6,7,8,8aα-tetrahydro-1H-2-benzopyran-6-one
  • ペニシラザフィロンA
  • Penicilazaphilone A
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