Chem
J-GLOBAL ID：200907003191429795   Nikkaji number：J1.367.816B

(20R)-20-Methyl-3β-[[3-[(4-aminobutyl)amino]propyl]amino]-5α-pregnane-7α,21-diol 21-sulfate

(20R)-20-メチル-3β-[[3-[(4-アミノブチル)アミノ]プロピル]アミノ]-5α-プレグナン-7α,21-ジオール21-スルファート
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： C29H55N3O5S
Molecular formula furigana： C29-H55-N3-O5-S
Molecular weight： 557.840
InChI： InChI=1S/C29H55N3O5S/c1-20(19-37-38(34,35)36)23-7-8-24-27-25(10-12-29(23,24)3)28(2)11-9-22(17-21(28)18-26(27)33)32-16-6-15-31-14-5-4-13-30/h20-27,31-33H,4-19,30H2,1-3H3,(H,34,35,36)/t20-,21+,22-,23+,24-,25-,26+,27-,28-,29+/m0/s1
InChI key： RNCWEGASEIXTEK-KYKSMWCUSA-N
SMILES： C[C@@H](COS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCN
Systematic name  (3)：
  • (20R)-20-メチル-3β-[[3-[(4-アミノブチル)アミノ]プロピル]アミノ]-5α-プレグナン-7α,21-ジオール21-スルファート
  • [(2R)-2-[(1R,3aS,3bR,4R,5aR,7S,9aS,9bS,11aR)-7-({3-[(4-アミノブチル)アミノ]プロピル}アミノ)-4-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]プロポキシ]スルホン酸
  • [(2R)-2-[(1R,3aS,3bR,4R,5aR,7S,9aS,9bS,11aR)-7-({3-[(4-aminobutyl)amino]propyl}amino)-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]propoxy]sulfonic acid
Other name (1)：
  • (20R)-20-Methyl-3β-[[3-[(4-aminobutyl)amino]propyl]amino]-5α-pregnane-7α,21-diol 21-sulfate
Thsaurus map：
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