Chem
J-GLOBAL ID：200907006733826361
Nikkaji number：J356.242E
Parguerol 19-acetate
パルゲロール19-アセタート
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： C24H35BrO6
Molecular formula furigana： C24-H35-BR-O6
Molecular weight： 499.442
InChI：
InChI=1S/C24H35BrO6/c1-13(27)30-12-24-9-17(24)19(31-14(2)28)10-23(4)16-5-6-22(3,21(25)11-26)8-15(16)18(29)7-20(23)24/h5,15,17-21,26,29H,6-12H2,1-4H3/t15-,17+,18-,19-,20+,21+,22+,23+,24-/m1/s1
InChI key：
TVBLRWWHIWDUKT-RCOZCXGLSA-N
SMILES：
CC(=O)OC[C@]12C[C@H]1[C@@H](C[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2C[C@](C)(CC=C12)[C@@H](Br)CO)OC(=O)C
Systematic name (3)：
- (1aS,βR)-1aβ-アセチルオキシメチル-3β-ヒドロキシ-5,7bβ-ジメチル-9β-アセチルオキシ-1a,1bα,2,3,3aβ,4,5,6,7b,8,9,9aβ-ドデカヒドロ-β-ブロモ-1H-シクロプロパ[a]フェナントレン-5β-エタノール
- [(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-9-(アセチルオキシ)-5-[(1R)-1-ブロモ-2-ヒドロキシエチル]-3-ヒドロキシ-5,7b-ジメチル-1H,1aH,1bH,2H,3H,3aH,4H,5H,6H,7bH,8H,9H,9aH-シクロプロパ[a]フェナントレン-1a-イル]メチル アセタート
- [(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-9-(acetyloxy)-5-[(1R)-1-bromo-2-hydroxyethyl]-3-hydroxy-5,7b-dimethyl-1H,1aH,1bH,2H,3H,3aH,4H,5H,6H,7bH,8H,9H,9aH-cyclopropa[a]phenanthren-1a-yl]methyl acetate
- (1aS,βR)-1aβ-Acetyloxymethyl-3β-hydroxy-5,7bβ-dimethyl-9β-acetyloxy-1a,1bα,2,3,3aβ,4,5,6,7b,8,9,9aβ-dodecahydro-β-bromo-1H-cyclopropa[a]phenanthrene-5β-ethanol
- パルゲロール19-アセタート
- Parguerol 19-acetate
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