Chem
J-GLOBAL ID：200907046165652380   Nikkaji number：J563.453I

Resiniferonol

レシニフェロノール
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： C20H28O6
Molecular formula furigana： C20-H28-O6
Molecular weight： 364.438
InChI： InChI=1S/C20H28O6/c1-10(2)18(24)7-12(4)20(26)14(17(18)23)6-13(9-21)8-19(25)15(20)5-11(3)16(19)22/h5-6,12,14-15,17,21,23-26H,1,7-9H2,2-4H3/t12-,14+,15-,17-,18-,19-,20-/m0/s1
InChI key： XJOIANWCBZYENR-HWEVOIGQSA-N
SMILES： C[C@H]1C[C@@](O)([C@@H](O)[C@H]2C=C(CO)C[C@]3(O)[C@H](C=C(C)C3=O)[C@]12O)C(=C)C
Systematic name  (3)：
  • (3aS)-4,6aβ,7,8,9,10,10a,10bα-オクタヒドロ-3aβ,7α,8α,10aα-テトラヒドロキシ-5-(ヒドロキシメチル)-2,10α-ジメチル-8-(1-メチルエテニル)ベンゾ[e]アズレン-3(3aH)-オン
  • (3aS,6aR,7S,8S,10S,10aS,10bR)-3a,7,8,10a-テトラヒドロキシ-5-(ヒドロキシメチル)-2,10-ジメチル-8-(プロパ-1-エン-2-イル)-3H,3aH,4H,6aH,7H,8H,9H,10H,10aH,10bH-シクロヘキサ[e]アズレン-3-オン
  • (3aS,6aR,7S,8S,10S,10aS,10bR)-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-(prop-1-en-2-yl)-3H,3aH,4H,6aH,7H,8H,9H,10H,10aH,10bH-cyclohexa[e]azulen-3-one
Other name (3)：
  • レシニフェロノール
  • Resiniferonol
  • (3aS)-4,6aβ,7,8,9,10,10a,10bα-Octahydro-3aβ,7α,8α,10aα-tetrahydroxy-5-(hydroxymethyl)-2,10α-dimethyl-8-(1-methylethenyl)benz[e]azulen-3(3aH)-one
CAS registry number： 57444-60-7
KEGG COMPOUND： C09178
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