Chem
J-GLOBAL ID：201107023932287321   Nikkaji number：J2.971.131C

N-(3-Aminopropyl)-3α,12α-dihydroxy-5β-cholane-24-amide

N-(3-アミノプロピル)-3α,12α-ジヒドロキシ-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： C27H48N2O3
Molecular formula furigana： C27-H48-N2-O3
Molecular weight： 448.692
InChI： InChI=1S/C27H48N2O3/c1-17(5-10-25(32)29-14-4-13-28)21-8-9-22-20-7-6-18-15-19(30)11-12-26(18,2)23(20)16-24(31)27(21,22)3/h17-24,30-31H,4-16,28H2,1-3H3,(H,29,32)/t17-,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1
InChI key： UXVLJTVWDQVHLH-DIENXTIDSA-N
SMILES： C[C@H](CCC(=O)NCCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • N-(3-アミノプロピル)-3α,12α-ジヒドロキシ-5β-コラン-24-アミド
  • (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-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]-N-(3-アミノプロピル)ペンタンアミド
  • (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-N-(3-aminopropyl)pentanamide
Other name (1)：
  • N-(3-Aminopropyl)-3α,12α-dihydroxy-5β-cholane-24-amide
Thsaurus map：
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