Chemical Compound

(2R,3S,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate

CAS Registry Number 1264-51-3
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(2R,3S,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate 结构式
Primary record

(2R,3S,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate

库存
1,689 克
纯度
98.6 %
CAS
1264-51-3

化合物标识与属性

CAS
1264-51-3
PubChem CID
12306640
SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)O)O
Canonical SMILES
CC(=O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C

名称与同义词

  • Acedoxin
  • B-acetyldigitoxin
  • beta-Acetyldigitoxin
  • Digitoxin, 4'''-acetate
  • Digitoxin, acetate, beta-
  • 4 -Acetyldigitoxin
  • Digitoxin 4 -acetate
  • BRN 0077281
  • C43-H66-O14
  • J15.018E
  • 4-18-00-01479 (Beilstein Handbook Reference)
  • Digitoxigenin + 2-digitoxose + acetyl-(3)-digitoxose
  • Digitoxigenin + 2-digitoxose + 1-acetyl-(4)-digitose
  • Digitoxigenin + 2-digitoxose + acetyl-(3)-digitoxose [German]
  • Digitoxigenin + 2-digitoxose + 1-acetyl-(4)-digitose [German]
  • (2R,3S,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl acetate
  • 1264-51-3
  • 3beta-[[4-O-[4-O-(4-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy]-14-hydroxy-5beta-card-20(22)-enolide
  • 3beta-[4-O-[4-O-(4-O-Acetyl-beta-D-digitoxosyl)-beta-D-digitoxosyl]-beta-D-digitoxosyloxy]-14beta-hydroxy-5beta-carda-20(22)-enolide
  • Card-20(22)-enolide, 3-[(O-4-O-acetyl-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-