Chem
J-GLOBAL ID：201207059709471651   Nikkaji number：J3.038.059B

Pinophilin B

ピノフィリン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： C21H22O8
Molecular formula furigana： C21-H22-O8
Molecular weight： 402.399
InChI： InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1
InChI key： KKSKNERURMTALE-XWEVTOJWSA-N
SMILES： Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(=CC2=CC(=O)[C@@]1(C)O)/C=C/CO
Systematic name  (3)：
  • (7S)-3-[(E)-3-ヒドロキシ-1-プロペニル]-7β-ヒドロキシ-7-メチル-8β-(2,4-ジヒドロキシ-6-メチルベンゾイルオキシ)-6,7,8,8aβ-テトラヒドロ-1H-2-ベンゾピラン-6-オン
  • (7S,8S,8aS)-7-ヒドロキシ-3-[(1E)-3-ヒドロキシプロパ-1-エン-1-イル]-7-メチル-6-オキソ-6,7,8,8a-テトラヒドロ-1H-イソクロメン-8-イル 2,4-ジヒドロキシ-6-メチルベンゾアート
  • (7S,8S,8aS)-7-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-6-oxo-6,7,8,8a-tetrahydro-1H-isochromen-8-yl 2,4-dihydroxy-6-methylbenzoate
Other name (3)：
  • (7S)-3-[(E)-3-Hydroxy-1-propenyl]-7β-hydroxy-7-methyl-8β-(2,4-dihydroxy-6-methylbenzoyloxy)-6,7,8,8aβ-tetrahydro-1H-2-benzopyran-6-one
  • ピノフィリンB
  • Pinophilin B
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