Chem
J-GLOBAL ID：201807017003358178
Nikkaji number：J3.722.201A
(-)-erythro-(7R,8S)-Δ8′-7-Acetoxy-3,4-methylenedioxy-3′,5′-dimethoxy-8-O-4′-neolignan
(-)-erythro-(7R,8S)-Δ8′-7-アセトキシ-3,4-メチレンジオキシ-3′,5′-ジメトキシ-8-O-4′-ネオリグナン
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： C23H26O7
Molecular formula furigana： C23-H26-O7
Molecular weight： 414.454
InChI：
InChI=1S/C23H26O7/c1-6-7-16-10-20(25-4)23(21(11-16)26-5)29-14(2)22(30-15(3)24)17-8-9-18-19(12-17)28-13-27-18/h6,8-12,14,22H,1,7,13H2,2-5H3/t14-,22-/m0/s1
InChI key：
TXMPVOYUEWSAFV-FPTDNZKUSA-N
SMILES：
COc1cc(CC=C)cc(OC)c1O[C@@H](C)[C@H](OC(=O)C)c1ccc2OCOc2c1
Systematic name (3)：
- (1R,2S)-2-(4-アリル-2,6-ジメトキシフェノキシ)-1-(3,4-メチレンジオキシフェニル)-1-プロパノールアセタート
- (1R,2S)-1-(2H-1,3-ベンゾジオキソール-5-イル)-2-[2,6-ジメトキシ-4-(プロパ-2-エン-1-イル)フェノキシ]プロピル アセタート
- (1R,2S)-1-(2H-1,3-benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate
- (1R,2S)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-methylenedioxyphenyl)-1-propanol acetate
- (-)-erythro-(7R,8S)-Δ8′-7-アセトキシ-3,4-メチレンジオキシ-3′,5′-ジメトキシ-8-O-4′-ネオリグナン
- (-)-erythro-(7R,8S)-Δ8′-7-Acetoxy-3,4-methylenedioxy-3′,5′-dimethoxy-8-O-4′-neolignan
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