Chem
J-GLOBAL ID：200907028981768290   Nikkaji number：J968.360G

(1S)-1β,8bβ-Dihydroxy-3β-phenyl-3aβ-(4-methoxyphenyl)-6,8-dimethoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid

(1S)-1β,8bβ-ジヒドロキシ-3β-フェニル-3aβ-(4-メトキシフェニル)-6,8-ジメトキシ-2,3,3a,8b-テトラヒドロ-1H-シクロペンタ[b]ベンゾフラン-2-カルボン酸
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： C27H26O8
Molecular formula furigana： C27-H26-O8
Molecular weight： 478.497
InChI： InChI=1S/C27H26O8/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(29)30)24(28)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,28,31H,1-3H3,(H,29,30)/t21?,22-,24+,26+,27+/m1/s1
InChI key： HLORMQRMDNZHJH-ZHCDLKOQSA-N
SMILES： COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@@H](O)C([C@H]2c1ccccc1)C(=O)O
Systematic name  (3)：
  • (1S)-1β,8bβ-ジヒドロキシ-3β-フェニル-3aβ-(4-メトキシフェニル)-6,8-ジメトキシ-2,3,3a,8b-テトラヒドロ-1H-シクロペンタ[b]ベンゾフラン-2-カルボン酸
  • (2S,3S,5S,6R)-2,3-ジヒドロキシ-10,12-ジメトキシ-6-(4-メトキシフェニル)-5-フェニル-7-オキサトリシクロ[6.4.0.02,6]ドデカ-1(12),8,10-トリエン-4-カルボン酸
  • (2S,3S,5S,6R)-2,3-dihydroxy-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene-4-carboxylic acid
Other name (1)：
  • (1S)-1β,8bβ-Dihydroxy-3β-phenyl-3aβ-(4-methoxyphenyl)-6,8-dimethoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxylic acid
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