Chem
J-GLOBAL ID：200907033438122554   Nikkaji number：J2.032.114H

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

(3S,3aα)-3α,6aα-ジヒドロキシ-5α-(4-ヒドロキシ-cis-シンナモイルオキシ)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： C19H22O8
Molecular formula furigana： C19-H22-O8
Molecular weight： 378.377
InChI： InChI=1S/C19H22O8/c1-25-16(22)8-13-14(9-19(24)10-26-18(23)17(13)19)27-15(21)7-4-11-2-5-12(20)6-3-11/h2-7,13-14,17-18,20,23-24H,8-10H2,1H3/b7-4-/t13-,14+,17+,18-,19+/m0/s1
InChI key： CECIGDWKZVORGI-WWFDTMQISA-N
SMILES： COC(=O)C[C@H]1[C@@H](C[C@@]2(O)CO[C@H](O)[C@@H]12)OC(=O)/C=C\c1ccc(O)cc1
Systematic name  (3)：
  • (3S,3aα)-3α,6aα-ジヒドロキシ-5α-(4-ヒドロキシ-cis-シンナモイルオキシ)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)-1,3a-ジヒドロキシ-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)-1,3a-dihydroxy-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,6aα-Dihydroxy-5α-(4-hydroxy-cis-cinnamoyloxy)hexahydro-1H-cyclopenta[c]furan-4β-acetic acid methyl ester
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