Chem
J-GLOBAL ID：200907056645072010   Nikkaji number：J683.175C

Taurodihydrofusidic acid sodium

タウロジヒドロフシジン酸ナトリウム
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： C33H56NNaO7S
Molecular formula furigana： C33-H56-N-NA-O7-S
Molecular weight： 633.860
InChI： InChI=1S/C33H57NO7S.Na/c1-20(2)9-8-10-23(19-34-15-16-42(38,39)40)29-25-17-27(37)30-31(5)13-12-26(36)21(3)24(31)11-14-32(30,6)33(25,7)18-28(29)41-22(4)35;/h20-21,24-28,30,34,36-37H,8-19H2,1-7H3,(H,38,39,40);/q;+1/p-1/b29-23-;/t21-,24-,25-,26+,27+,28-,30-,31-,32-,33-;/m0./s1
InChI key： LJDOEGJWQCIFOF-PUMKPQFWSA-M
SMILES： CC(C)CCC/C(=C\1/[C@H](C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@]21C)OC(=O)C)/CNCCS(=O)(=O)O[Na]
Systematic name  (3)：
  • 2-[[(8α,9β,13α,14β,17Z)-16β-アセトキシ-3α,11α-ジヒドロキシ-29-ノルダンマラ-17(20)-エン-21-イル]アミノ]エタンスルホン酸ナトリウム
  • (1Z,2S,3aS,3bS,5aS,6S,7R,9aS,9bS,10R,11aR)-7,10-ジヒドロキシ-3a,3b,6,9a-テトラメチル-1-[6-メチル-1-({2-[(ソジオオキシ)スルホニル]エチル}アミノ)ヘプタン-2-イリデン]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-2-イル アセタート
  • (1Z,2S,3aS,3bS,5aS,6S,7R,9aS,9bS,10R,11aR)-7,10-dihydroxy-3a,3b,6,9a-tetramethyl-1-[6-methyl-1-({2-[(sodiooxy)sulfonyl]ethyl}amino)heptan-2-ylidene]-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate
Other name (3)：
  • タウロジヒドロフシジン酸ナトリウム
  • Taurodihydrofusidic acid sodium
  • 2-[[(8α,9β,13α,14β,17Z)-16β-Acetoxy-3α,11α-dihydroxy-29-nordammar-17(20)-en-21-yl]amino]ethanesulfonic acid sodium salt
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