Chem
J-GLOBAL ID：200907008306220129   Nikkaji number：J314.542E

(6aR)-1-Amino-6aβ,7,8,9,10,10aα-hexahydro-6,6-dimethyl-3-(1-methyl-4-phenylbutoxy)-6H-dibenzo[b,d]pyran-9β-ol

(6aR)-1-アミノ-6aβ,7,8,9,10,10aα-ヘキサヒドロ-6,6-ジメチル-3-(1-メチル-4-フェニルブトキシ)-6H-ジベンゾ[b,d]ピラン-9β-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： C26H35NO3
Molecular formula furigana： C26-H35-N-O3
Molecular weight： 409.570
InChI： InChI=1S/C26H35NO3/c1-17(8-7-11-18-9-5-4-6-10-18)29-20-15-23(27)25-21-14-19(28)12-13-22(21)26(2,3)30-24(25)16-20/h4-6,9-10,15-17,19,21-22,28H,7-8,11-14,27H2,1-3H3/t17?,19-,21-,22-/m1/s1
InChI key： LKAGBUQZNMZOGY-WNBFYKTCSA-N
SMILES： CC(CCCc1ccccc1)Oc1cc(N)c2[C@@H]3C[C@H](O)CC[C@H]3C(C)(C)Oc2c1
Systematic name  (3)：
  • (6aR)-1-アミノ-6aβ,7,8,9,10,10aα-ヘキサヒドロ-6,6-ジメチル-3-(1-メチル-4-フェニルブトキシ)-6H-ジベンゾ[b,d]ピラン-9β-オール
  • (6aR,9R,10aR)-1-アミノ-6,6-ジメチル-3-[(5-フェニルペンタン-2-イル)オキシ]-6H,6aH,7H,8H,9H,10H,10aH-ベンゾ[c]イソクロメン-9-オール
  • (6aR,9R,10aR)-1-amino-6,6-dimethyl-3-[(5-phenylpentan-2-yl)oxy]-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-9-ol
Other name (1)：
  • (6aR)-1-Amino-6aβ,7,8,9,10,10aα-hexahydro-6,6-dimethyl-3-(1-methyl-4-phenylbutoxy)-6H-dibenzo[b,d]pyran-9β-ol
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