Chem
J-GLOBAL ID:201407035950780892   Nikkaji number:J3.302.217D

1-[(1R)-1α,5α-Dihydroxy-1-[2-(3-furyl)ethyl]-4,4,7aβ-trimethyl-1,3,3aα,4,5,6,7,7a-octahydroisobenzofuran-3α-yl]-1-propanone

1-[(1S,3R,3aS,6R,7aS)-3-[2-(フラン-3-イル)エチル]-3,6-ジヒドロキシ-3a,7,7-トリメチル-オクタヒドロ-2-ベンゾフラン-1-イル]プロパン-1-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: C20H30O5
Molecular formula furigana: C20-H30-O5
Molecular weight: 350.455
InChI: InChI=1S/C20H30O5/c1-5-14(21)16-17-18(2,3)15(22)7-9-19(17,4)20(23,25-16)10-6-13-8-11-24-12-13/h8,11-12,15-17,22-23H,5-7,9-10H2,1-4H3/t15-,16-,17+,19+,20-/m1/s1
InChI key: ZNBWROXUHFDRQM-NLPMXTIOSA-N
SMILES: CCC(=O)[C@H]1O[C@](O)(CCc2ccoc2)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]12
Systematic name  (3):
  • 1-[(1R)-1α,5α-ジヒドロキシ-1-[2-(3-フリル)エチル]-4,4,7aβ-トリメチル-1,3,3aα,4,5,6,7,7a-オクタヒドロイソベンゾフラン-3α-イル]-1-プロパノン
  • 1-[(1S,3R,3aS,6R,7aS)-3-[2-(フラン-3-イル)エチル]-3,6-ジヒドロキシ-3a,7,7-トリメチル-オクタヒドロ-2-ベンゾフラン-1-イル]プロパン-1-オン
  • 1-[(1S,3R,3aS,6R,7aS)-3-[2-(furan-3-yl)ethyl]-3,6-dihydroxy-3a,7,7-trimethyl-octahydro-2-benzofuran-1-yl]propan-1-one
Other name (1):
  • 1-[(1R)-1α,5α-Dihydroxy-1-[2-(3-furyl)ethyl]-4,4,7aβ-trimethyl-1,3,3aα,4,5,6,7,7a-octahydroisobenzofuran-3α-yl]-1-propanone
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