Chem
J-GLOBAL ID:200907018526022781
Nikkaji number:J1.855.426G
2-Bromo-4-methoxy-1,9aα-[(2R)-2-carbamoylbutane-1,4-diyl]-5aα,6,7,9a-tetrahydrodibenzofuran-7β-ol
2-ブロモ-4-メトキシ-1,9aα-[(2R)-2-カルバモイルブタン-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
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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:
C18 H20 BrNO4
Molecular formula furigana:
C18-H20-BR-N-O4
Molecular weight:
394.265
InChI:
InChI=1S/C18H20BrNO4/c1-23-13-8-12(19)11-6-9(17(20)22)2-4-18-5-3-10(21)7-14(18)24-16(13)15(11)18/h3,5,8-10,14,21H,2,4,6-7H2,1H3,(H2,20,22)/t9-,10+,14+,18-/m1/s1
InChI key:
ASHPYVZJGLZEOE-VMLMSMNQSA-N
SMILES:
COc1cc(Br)c2C[C@@H](CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24)C(=O)N
Systematic name (3):
2-ブロモ-4-メトキシ-1,9aα-[(2R)-2-カルバモイルブタン-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)-7-ブロモ-14-ヒドロキシ-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-4-カルボキサミド
(1S,4R,12S,14R)-7-bromo-14-hydroxy-9-methoxy-11-oxatetracyclo[8.6.1.01,12 .06,17 ]heptadeca-6,8,10(17),15-tetraene-4-carboxamide
Other name (1):
2-Bromo-4-methoxy-1,9aα-[(2R)-2-carbamoylbutane-1,4-diyl]-5aα,6,7,9a-tetrahydrodibenzofuran-7β-ol
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