Chem
J-GLOBAL ID：201707018582327040   Nikkaji number：J3.665.270E

(24R,25S)-3α,7α,12α,24-Tetrahydroxy-N-(2-sulfoethyl)-5β-cholestane-27-amide

(24R,25S)-3α,7α,12α,24-テトラヒドロキシ-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： C29H51NO8S
Molecular formula furigana： C29-H51-N-O8-S
Molecular weight： 573.790
InChI： InChI=1S/C29H51NO8S/c1-16(5-8-23(32)17(2)27(35)30-11-12-39(36,37)38)20-6-7-21-26-22(15-25(34)29(20,21)4)28(3)10-9-19(31)13-18(28)14-24(26)33/h16-26,31-34H,5-15H2,1-4H3,(H,30,35)(H,36,37,38)/t16-,17+,18+,19-,20-,21+,22+,23-,24-,25+,26+,28+,29-/m1/s1
InChI key： IRLLPYQZIDZRPZ-RSEUZRJFSA-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]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • (24R,25S)-3α,7α,12α,24-テトラヒドロキシ-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,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-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,11S,11aR)-4,7,11-trihydroxy-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,12α,24-Tetrahydroxy-N-(2-sulfoethyl)-5β-cholestane-27-amide
Thsaurus map：
Thesaurus Map

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