Chem
J-GLOBAL ID：201707008428226643   Nikkaji number：J3.665.271C

(24R,25S)-3α,7α,24-Trihydroxy-N-(2-sulfoethyl)-5β-cholestane-27-amide

(24R,25S)-3α,7α,24-トリヒドロキシ-N-(2-スルホエチル)-5β-コレスタン-27-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： C29H51NO7S
Molecular formula furigana： C29-H51-N-O7-S
Molecular weight： 557.790
InChI： InChI=1S/C29H51NO7S/c1-17(5-8-24(32)18(2)27(34)30-13-14-38(35,36)37)21-6-7-22-26-23(10-12-29(21,22)4)28(3)11-9-20(31)15-19(28)16-25(26)33/h17-26,31-33H,5-16H2,1-4H3,(H,30,34)(H,35,36,37)/t17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,28+,29-/m1/s1
InChI key： AZFBWWDMUWNIQZ-TYBOKKDGSA-N
SMILES： C[C@H](CC[C@@H](O)[C@H](C)C(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (24R,25S)-3α,7α,24-トリヒドロキシ-N-(2-スルホエチル)-5β-コレスタン-27-アミド
  • 2-[(2S,3R,6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-3-ヒドロキシ-2-メチルヘプタンアミド]エタン-1-スルホン酸
  • 2-[(2S,3R,6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-methylheptanamido]ethane-1-sulfonic acid
Other name (1)：
  • (24R,25S)-3α,7α,24-Trihydroxy-N-(2-sulfoethyl)-5β-cholestane-27-amide
Thsaurus map：
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