Chem
J-GLOBAL ID:200907024470461531   Nikkaji number:J1.855.427E

2-Bromo-4-methoxy-1,9aα-[(2R)-2-aminobutane-1,4-diyl]-5aα,6,7,9a-tetrahydrodibenzofuran-7β-ol

2-ブロモ-4-メトキシ-1,9aα-[(2R)-2-アミノブタン-1,4-ジイル]-5aα,6,7,9a-テトラヒドロジベンゾフラン-7β-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: C17H20BrNO3
Molecular formula furigana: C17-H20-BR-N-O3
Molecular weight: 366.255
InChI: InChI=1S/C17H20BrNO3/c1-21-13-8-12(18)11-6-9(19)2-4-17-5-3-10(20)7-14(17)22-16(13)15(11)17/h3,5,8-10,14,20H,2,4,6-7,19H2,1H3/t9-,10+,14+,17-/m1/s1
InChI key: YALWOMDZMKASJE-ZEDKHECFSA-N
SMILES: COc1cc(Br)c2C[C@H](N)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Systematic name  (3):
  • 2-ブロモ-4-メトキシ-1,9aα-[(2R)-2-アミノブタン-1,4-ジイル]-5aα,6,7,9a-テトラヒドロジベンゾフラン-7β-オール
  • (1S,4R,12S,14R)-4-アミノ-7-ブロモ-9-メトキシ-11-オキサテトラシクロ[8.6.1.01,12.06,17]ヘプタデカ-6,8,10(17),15-テトラエン-14-オール
  • (1S,4R,12S,14R)-4-amino-7-bromo-9-methoxy-11-oxatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraen-14-ol
Other name (1):
  • 2-Bromo-4-methoxy-1,9aα-[(2R)-2-aminobutane-1,4-diyl]-5aα,6,7,9a-tetrahydrodibenzofuran-7β-ol
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