Chem
J-GLOBAL ID：200907066804167723
Nikkaji number：J579.451J
(1R)-1,9,10,10aβ-Tetrahydro-7-methoxyphenanthrene-1,2-dicarboxylic acid 1-methyl 2-benzyl ester
(1R)-1,9,10,10aβ-テトラヒドロ-7-メトキシフェナントレン-1,2-ジカルボン酸1-メチル2-ベンジル
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
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
Molecular formula： C25H24O5
Molecular formula furigana： C25-H24-O5
Molecular weight： 404.462
InChI：
InChI=1S/C25H24O5/c1-28-18-9-11-19-17(14-18)8-10-21-20(19)12-13-22(23(21)25(27)29-2)24(26)30-15-16-6-4-3-5-7-16/h3-7,9,11-14,21,23H,8,10,15H2,1-2H3/t21-,23+/m0/s1
InChI key：
BQQAWJXMGCHWLW-JTHBVZDNSA-N
SMILES：
COC(=O)[C@@H]1[C@H]2CCc3cc(OC)ccc3C2=CC=C1C(=O)OCc1ccccc1
Systematic name (3)：
- (1R)-1,9,10,10aβ-テトラヒドロ-7-メトキシフェナントレン-1,2-ジカルボン酸1-メチル2-ベンジル
- 2-ベンジル 1-メチル (1R,10aR)-7-メトキシ-1,9,10,10a-テトラヒドロフェナントレン-1,2-ジカルボキシラート
- 2-benzyl 1-methyl (1R,10aR)-7-methoxy-1,9,10,10a-tetrahydrophenanthrene-1,2-dicarboxylate
- (1R)-1,9,10,10aβ-Tetrahydro-7-methoxyphenanthrene-1,2-dicarboxylic acid 1-methyl 2-benzyl ester
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