Chem
J-GLOBAL ID：201707020488107520   Nikkaji number：J3.637.021A

N-(2-Sulfoethyl)-3α,7α,12α-trihydroxy-(2,2,3,4,4-2H5)-5β-cholane-24-amide

N-(2-スルホエチル)-3α,7α,12α-トリヒドロキシ-(2,2,3,4,4-2H5)-5β-コラン-24-アミド
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： C26H40[2H]5NO7S
Molecular formula furigana： C26-H45-N-O7-S
Molecular weight： 520.740
InChI： InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1/i8D2,12D2,17D
InChI key： WBWWGRHZICKQGZ-DXDDMVLESA-N
SMILES： C1([2H])([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(=O)NCCS(=O)(=O)O
Systematic name  (4)：
  • 2-[(2,2,3,4,4-2H5)-(3α,7α,12α-トリヒドロキシ-24-オキソ-5β-コラン-24-イル)アミノ]エタンスルホン酸
  • N-(2-スルホエチル)-3α,7α,12α-トリヒドロキシ-(2,2,3,4,4-2H5)-5β-コラン-24-アミド
  • 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,7,11-トリヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ(6,6,7,8,8-2H5)-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタンアミド]エタン-1-スルホン酸
  • 2-[(4R)-4-[(1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,7,8,8-2H5)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonic acid
Other name (2)：
  • 2-[(2,2,3,4,4-2H5)-(3α,7α,12α-Trihydroxy-24-oxo-5β-cholane-24-yl)amino]ethanesulfonic acid
  • N-(2-Sulfoethyl)-3α,7α,12α-trihydroxy-(2,2,3,4,4-2H5)-5β-cholane-24-amide
Thsaurus map：
Thesaurus Map

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