Chem
J-GLOBAL ID:200907093104789453
Nikkaji number:J78.102I
3-O-Acetylhellebrigenin
ヘレブリゲニン3-アセタート
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Substance type:
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
Molecular formula:
C26 H34 O7
Molecular formula furigana:
C26-H34-O7
Molecular weight:
458.551
InChI:
InChI=1S/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1
InChI key:
VIOBLZMEZRNYRR-XDFZRXKSSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)c1ccc(=O)oc1
Systematic name (6):
3β-アセチルオキシ-5,14-ジヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
3β-(アセチルオキシ)-5,14-ジヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
3β-アセトキシ-5,14-ジヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
3β-アセトキシ-5β,14β-ジヒドロキシ-19-オキソ-5β-ブファ-20,22-ジエノリド
(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a-ホルミル-3a,5a-ジヒドロキシ-11a-メチル-1-(2-オキソ-2H-ピラン-5-イル)-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル アセタート
(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a-formyl-3a,5a-dihydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
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Other name (8):
Hellebrigenin 3-acetate
ヘレブリゲニン3-アセタート
3β-Acetyloxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide
3β-(Acetyloxy)-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide
3β-Acetoxy-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide
3β-Acetoxy-5β,14β-dihydroxy-19-oxo-5β-bufa-20,22-dienolide
3-O-アセチルヘレブリゲニン
3-O-Acetylhellebrigenin
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CAS registry number:
4064-09-9
Regulation number (1):
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