(1R,2S,4S,10R,12R,14R,15R)-2-(Acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde
基本情報
- CAS
78697-56-0- 標準SMILES
C=C(C)[C@@H]1Cc2oc(cc2C=O)[C@@H]2O[C@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H](OC(C)=O)C1- InChIKey
KGRIGHVGXOOCOY-ALYDTWDZSA-N- 分子式
- C22H24O8
- 平均分子量
- 416.4 g/mol
- 単同位体質量
- 416.14711772
概要
[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate has been reported in Lophogorgia, Leptogorgia alba, and Leptogorgia violacea with data available.
名称と識別子
- 優先名称
- (1R,2S,4S,10R,12R,14R,15R)-2-(Acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde
- IUPAC
- [(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate
名称と別名
Lophotoxin78697-56-06LL2IET05811,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1R,2S,4S,10R,12R,14R,15R)-11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1R-(1R*,2S*,4S*,10R*,12R*,14R*,15R*))-[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate((1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-dien-2-yl) acetateRefChem:905694((1S,2R,4R,10S,12R,14S,15S)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-dien-2-yl) acetate(1R,2S,4S,10R,12R,14R,15R)-2-(Acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehydeBRN 4339458UNII-6LL2IET058
名称をさらに表示
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 108 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 809
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