Chem
J-GLOBAL ID：200907054929875675   Nikkaji number：J2.032.113J

(3S,3aα)-3α-Methoxy-5α-(4-hydroxy-cis-cinnamoyloxy)-6aα-hydroxyhexahydro-1H-cyclopenta[c]furan-4β-acetic acid methyl ester

(3S,3aα)-3α-メトキシ-5α-(4-ヒドロキシ-cis-シンナモイルオキシ)-6aα-ヒドロキシヘキサヒドロ-1H-シクロペンタ[c]フラン-4β-酢酸メチル
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： C20H24O8
Molecular formula furigana： C20-H24-O8
Molecular weight： 392.404
InChI： InChI=1S/C20H24O8/c1-25-17(23)9-14-15(10-20(24)11-27-19(26-2)18(14)20)28-16(22)8-5-12-3-6-13(21)7-4-12/h3-8,14-15,18-19,21,24H,9-11H2,1-2H3/b8-5-/t14-,15+,18+,19-,20+/m0/s1
InChI key： QVKKLVIZYLLWGZ-BTKGNCOXSA-N
SMILES： CO[C@H]1OC[C@]2(O)C[C@@H](OC(=O)/C=C\c3ccc(O)cc3)[C@H](CC(=O)OC)[C@H]12
Systematic name  (3)：
  • (3S,3aα)-3α-メトキシ-5α-(4-ヒドロキシ-cis-シンナモイルオキシ)-6aα-ヒドロキシヘキサヒドロ-1H-シクロペンタ[c]フラン-4β-酢酸メチル
  • (1S,3aS,5R,6R,6aS)-3a-ヒドロキシ-1-メトキシ-6-(2-メトキシ-2-オキソエチル)-ヘキサヒドロ-1H-シクロペンタ[c]フラン-5-イル (2Z)-3-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • (1S,3aS,5R,6R,6aS)-3a-hydroxy-1-methoxy-6-(2-methoxy-2-oxoethyl)-hexahydro-1H-cyclopenta[c]furan-5-yl (2Z)-3-(4-hydroxyphenyl)prop-2-enoate
Other name (1)：
  • (3S,3aα)-3α-Methoxy-5α-(4-hydroxy-cis-cinnamoyloxy)-6aα-hydroxyhexahydro-1H-cyclopenta[c]furan-4β-acetic acid methyl ester
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