Chemical Compound

magnesium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;tetrahydrate

CAS Registry Number 658701-67-8
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magnesium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;tetrahydrate 结构式
Primary record

magnesium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;tetrahydrate

库存
7,670 克
纯度
98.2 %
CAS
658701-67-8

化合物标识与属性

CAS
658701-67-8
PubChem CID
154572846
SMILES
C[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)O.O.O.O.O.[Mg+2]
Canonical SMILES
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12.O.O.O.O.[Mg+2]

名称与同义词

  • Tianqingganmei
  • Tian qing gan mei
  • RefChem:1088722
  • Magnesium isoglycyrrhizinate hydrate
  • QX28B7638W
  • UNII-QX28B7638W
  • orb2563995
  • Magnesium isoglycyrrhizinate (hydrate)
  • SCHEMBL30185328
  • 18alpha-Glycyrrhizin magnesium tetrahydrate
  • AC-37933
  • 658701-67-8
  • HY-154795
  • Magnesium glycyrrhizinate tetrahydrate, 18alpha-
  • 18alpha-Glycyrrhizinic acid magnesium tetrahydrate
  • CS-0774341
  • 18.ALPHA.-GLYCYRRHIZIN MAGNESIUM TETRAHYDRATE
  • 18.ALPHA.-GLYCYRRHIZINIC ACID MAGNESIUM TETRAHYDRATE
  • MAGNESIUM GLYCYRRHIZINATE TETRAHYDRATE, 18.ALPHA.-
  • alpha-D-Glucopyranosiduronic acid, (3beta,18alpha,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-, magnesium salt (1:1), tetrahydrate
  • .ALPHA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,18.ALPHA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-, MAGNESIUM SALT (1:1), TETRAHYDRATE
  • magnesium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;tetrahydrate