Chem
J-GLOBAL ID：200907039730182388
Nikkaji number：J356.240I
(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 5-acetate
(1aS)-5β-[(R)-1-ブロモ-2-アセトキシエチル]-1a,1bα,2,3,3aβ,4,5,6,7b,8,9,9aβ-ドデカヒドロ-1aβ-(アセトキシメチル)-5,7bβ-ジメチル-1H-シクロプロパ[a]フェナントレン-3β,9β-ジオール9-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： C26H37BrO7
Molecular formula furigana： C26-H37-BR-O7
Molecular weight： 541.479
InChI：
InChI=1S/C26H37BrO7/c1-14(28)32-12-23(27)24(4)7-6-18-17(9-24)20(31)8-22-25(18,5)11-21(34-16(3)30)19-10-26(19,22)13-33-15(2)29/h6,17,19-23,31H,7-13H2,1-5H3/t17-,19+,20-,21-,22+,23+,24+,25+,26-/m1/s1
InChI key：
NVKPDTRBPDKUME-OBWTZDJZSA-N
SMILES：
CC(=O)OC[C@H](Br)[C@@]1(C)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(COC(=O)C)C[C@H]3[C@@H](C[C@@]21C)OC(=O)C
Systematic name (4)：
- (1aS)-5β-[(R)-1-ブロモ-2-アセトキシエチル]-1a,1bα,2,3,3aβ,4,5,6,7b,8,9,9aβ-ドデカヒドロ-1aβ-(アセトキシメチル)-5,7bβ-ジメチル-1H-シクロプロパ[a]フェナントレン-3β,9β-ジオール9-アセタート
- (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5-アセタート
- (2R)-2-[(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-9-(アセチルオキシ)-1a-[(アセチルオキシ)メチル]-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-5-イル]-2-ブロモエチル アセタート
- (2R)-2-[(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-9-(acetyloxy)-1a-[(acetyloxy)methyl]-3-hydroxy-5,7b-dimethyl-1H,1aH,1bH,2H,3H,3aH,4H,5H,6H,7bH,8H,9H,9aH-cyclopropa[a]phenanthren-5-yl]-2-bromoethyl 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 5-acetate
Return to Previous Page
