Chem
J-GLOBAL ID：200907049838547507   Nikkaji number：J2.090.068G

(3aR)-1-Isopropyl-3aβ,5aα-dimethyl-8-(hydroxymethyl)-9α-acetoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-6β-ol

11-O-アセチルシアタトリオール
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： C22H34O4
Molecular formula furigana： C22-H34-O4
Molecular weight： 362.510
InChI： InChI=1S/C22H34O4/c1-13(2)16-6-7-21(4)8-9-22(5)17(20(16)21)11-18(26-14(3)24)15(12-23)10-19(22)25/h10,13,17-19,23,25H,6-9,11-12H2,1-5H3/t17-,18-,19+,21-,22-/m1/s1
InChI key： AOIDBNSVSJUUHH-PXIKZMAHSA-N
SMILES： CC(C)C1=C2[C@H]3C[C@@H](OC(=O)C)C(=C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1)CO
Systematic name  (3)：
  • (3aR)-1-イソプロピル-3aβ,5aα-ジメチル-8-(ヒドロキシメチル)-9α-アセトキシ-2,3,3a,4,5,5a,6,9,10,10aβ-デカヒドロシクロヘプタ[e]インデン-6β-オール
  • (3aR,5aR,6S,9R,10aR)-6-ヒドロキシ-8-(ヒドロキシメチル)-3a,5a-ジメチル-1-(プロパン-2-イル)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-シクロヘプタ[e]インデン-9-イル アセタート
  • (3aR,5aR,6S,9R,10aR)-6-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]inden-9-yl acetate
Other name (3)：
  • (3aR)-1-Isopropyl-3aβ,5aα-dimethyl-8-(hydroxymethyl)-9α-acetoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-6β-ol
  • 11-O-アセチルシアタトリオール
  • 11-O-Acetylcyathatriol
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