Chem
J-GLOBAL ID:200907025055527264   Nikkaji number:J1.206.572H

O-1105

(6aR)-3-(5-ブロモ-2-ペンチニル)-6,6,9-トリメチル-6aβ,7,10,10aα-テトラヒドロ-6H-ジベンゾ[b,d]ピラン-1-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: C21H25BrO2
Molecular formula furigana: C21-H25-BR-O2
Molecular weight: 389.333
InChI: InChI=1S/C21H25BrO2/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h8,12-13,16-17,23H,6-7,9-11H2,1-3H3/t16-,17-/m1/s1
InChI key: YWCWHSWSAXXDOE-IAGOWNOFSA-N
SMILES: CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC#CCCBr)cc1OC2(C)C
Systematic name  (4):
  • (6aR)-3-(5-ブロモ-2-ペンチニル)-6,6,9-トリメチル-6aβ,7,10,10aα-テトラヒドロ-6H-ジベンゾ[b,d]ピラン-1-オール
  • (6aR,10aR)-6aβ,7,10,10aα-テトラヒドロ-6,6,9-トリメチル-3-(5-ブロモ-2-ペンチニル)-6H-ジベンゾ[b,d]ピラン-1-オール
  • (6aR,10aR)-3-(5-ブロモペンタ-2-イン-1-イル)-6,6,9-トリメチル-6H,6aH,7H,10H,10aH-ベンゾ[c]イソクロメン-1-オール
  • (6aR,10aR)-3-(5-bromopent-2-yn-1-yl)-6,6,9-trimethyl-6H,6aH,7H,10H,10aH-benzo[c]isochromen-1-ol
Other name (3):
  • (6aR)-3-(5-Bromo-2-pentynyl)-6,6,9-trimethyl-6aβ,7,10,10aα-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
  • (6aR,10aR)-6aβ,7,10,10aα-Tetrahydro-6,6,9-trimethyl-3-(5-bromo-2-pentynyl)-6H-dibenzo[b,d]pyran-1-ol
  • O-1105
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