Chem
J-GLOBAL ID：201207065488928929   Nikkaji number：J3.038.058D

Pinophilin A

ピノフィリン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： C21H22O7
Molecular formula furigana： C21-H22-O7
Molecular weight： 386.400
InChI： InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
InChI key： JCQWLKQBYHSHOG-DAYKGMGPSA-N
SMILES： C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1
Systematic name  (3)：
  • (7S)-3-[(E)-1-プロペニル]-7α-メチル-7-(2,4-ジヒドロキシ-6-メチルベンゾイルオキシ)-8β-ヒドロキシ-6,7,8,8aβ-テトラヒドロ-1H-2-ベンゾピラン-6-オン
  • (7S,8S,8aS)-8-ヒドロキシ-7-メチル-6-オキソ-3-[(1E)-プロパ-1-エン-1-イル]-6,7,8,8a-テトラヒドロ-1H-イソクロメン-7-イル 2,4-ジヒドロキシ-6-メチルベンゾアート
  • (7S,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-[(1E)-prop-1-en-1-yl]-6,7,8,8a-tetrahydro-1H-isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate
Other name (3)：
  • (7S)-3-[(E)-1-Propenyl]-7α-methyl-7-(2,4-dihydroxy-6-methylbenzoyloxy)-8β-hydroxy-6,7,8,8aβ-tetrahydro-1H-2-benzopyran-6-one
  • ピノフィリンA
  • Pinophilin A
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