Chem
J-GLOBAL ID:201507076755739930   Nikkaji number:J3.334.603D

AM-841

(6aR)-1-ヒドロキシ-3-(1,1-ジメチル-7-イソチオシアナトヘプチル)-6,6-ジメチル-6aβ,7,8,9,10,10aα-ヘキサヒドロ-6H-ジベンゾ[b,d]ピラン-9β-メタノール
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: C26H39NO3S
Molecular formula furigana: C26-H39-N-O3-S
Molecular weight: 445.660
InChI: InChI=1S/C26H39NO3S/c1-25(2,11-7-5-6-8-12-27-17-31)19-14-22(29)24-20-13-18(16-28)9-10-21(20)26(3,4)30-23(24)15-19/h14-15,18,20-21,28-29H,5-13,16H2,1-4H3/t18-,20-,21-/m1/s1
InChI key: JCIYJYHFBBXSBF-HMXCVIKNSA-N
SMILES: CC(C)(CCCCCCN=C=S)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Systematic name  (4):
  • (6aR)-1-ヒドロキシ-3-(1,1-ジメチル-7-イソチオシアナトヘプチル)-6,6-ジメチル-6aβ,7,8,9,10,10aα-ヘキサヒドロ-6H-ジベンゾ[b,d]ピラン-9β-メタノール
  • (6aR,9R,10aR)-1-ヒドロキシ-3-(1,1-ジメチル-7-イソチオシアナトヘプチル)-6,6-ジメチル-6a,7,8,9,10,10a-ヘキサヒドロ-6H-ジベンゾ[b,d]ピラン-9-メタノール
  • (6aR,9R,10aR)-9-(ヒドロキシメチル)-3-(8-イソチオシアナト-2-メチルオクタン-2-イル)-6,6-ジメチル-6H,6aH,7H,8H,9H,10H,10aH-ベンゾ[c]イソクロメン-1-オール
  • (6aR,9R,10aR)-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyloctan-2-yl)-6,6-dimethyl-6H,6aH,7H,8H,9H,10H,10aH-benzo[c]isochromen-1-ol
Other name (3):
  • (6aR)-1-Hydroxy-3-(1,1-dimethyl-7-isothiocyanatoheptyl)-6,6-dimethyl-6aβ,7,8,9,10,10aα-hexahydro-6H-dibenzo[b,d]pyran-9β-methanol
  • AM-841
  • (6aR,9R,10aR)-1-Hydroxy-3-(1,1-dimethyl-7-isothiocyanatoheptyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran-9-methanol
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