Chem
J-GLOBAL ID：201207021069073584   Nikkaji number：J3.038.060F

Sch-725680

ベルカザフィロンC
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(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
InChI key： HNVJWWBKFFDQAA-DAYKGMGPSA-N
SMILES： C/C=C/C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1
Systematic name  (3)：
  • (7S)-3-[(E)-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-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-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-7-methyl-6-oxo-3-[(1E)-prop-1-en-1-yl]-6,7,8,8a-tetrahydro-1H-isochromen-8-yl 2,4-dihydroxy-6-methylbenzoate
Other name (4)：
  • (7S)-3-[(E)-1-Propenyl]-7β-hydroxy-7-methyl-8β-(2,4-dihydroxy-6-methylbenzoyloxy)-6,7,8,8aβ-tetrahydro-1H-2-benzopyran-6-one
  • Sch-725680
  • ベルカザフィロンC
  • Berkazaphilone C
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