Chem
J-GLOBAL ID:200907049069178196   Nikkaji number:J451.059C

(2S)-2,3,3a,4-Tetrahydro-2α-(4-hydroxy-3-methoxyphenyl)-7aα-hydroxy-3β-methyl-3aα-(2-propenyl)benzofuran-7(7aH)-one

(2S)-2,3,3a,4-テトラヒドロ-2α-(4-ヒドロキシ-3-メトキシフェニル)-7aα-ヒドロキシ-3β-メチル-3aα-(2-プロペニル)ベンゾフラン-7(7aH)-オン
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: C19H22O5
Molecular formula furigana: C19-H22-O5
Molecular weight: 330.380
InChI: InChI=1S/C19H22O5/c1-4-9-18-10-5-6-16(21)19(18,22)24-17(12(18)2)13-7-8-14(20)15(11-13)23-3/h4-8,11-12,17,20,22H,1,9-10H2,2-3H3/t12-,17+,18-,19-/m1/s1
InChI key: TZAXQHDIMDQXRD-YJQAKTFBSA-N
SMILES: COc1cc(ccc1O)[C@H]1O[C@]2(O)C(=O)C=CC[C@]2(CC=C)[C@@H]1C
Systematic name  (3):
  • (2S)-2,3,3a,4-テトラヒドロ-2α-(4-ヒドロキシ-3-メトキシフェニル)-7aα-ヒドロキシ-3β-メチル-3aα-(2-プロペニル)ベンゾフラン-7(7aH)-オン
  • (2S,3S,3aR,7aS)-7a-ヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)-3-メチル-3a-(プロパ-2-エン-1-イル)-2,3,3a,4,7,7a-ヘキサヒドロ-1-ベンゾフラン-7-オン
  • (2S,3S,3aR,7aS)-7a-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methyl-3a-(prop-2-en-1-yl)-2,3,3a,4,7,7a-hexahydro-1-benzofuran-7-one
Other name (1):
  • (2S)-2,3,3a,4-Tetrahydro-2α-(4-hydroxy-3-methoxyphenyl)-7aα-hydroxy-3β-methyl-3aα-(2-propenyl)benzofuran-7(7aH)-one
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