Chem
J-GLOBAL ID：200907072195122254   Nikkaji number：J2.394.918K

N,N-Bis[3-[(D-glucose-1-yl)amino]propyl]-3α,12α-dihydroxycholane-24-oic amide

N,N-ビス[3-[(D-グルコース-1-イル)アミノ]プロピル]-3α,12α-ジヒドロキシコラン-24-酸アミド
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： C42H75N3O15
Molecular formula furigana： C42-H75-N3-O15
Molecular weight： 862.068
InChI： InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23?,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
InChI key： OJSUWTDDXLCUFR-DBQJHZRYSA-N
SMILES： C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • N,N-ビス[3-[(D-グルコース-1-イル)アミノ]プロピル]-3α,12α-ジヒドロキシコラン-24-酸アミド
  • (2R,3S,4R,5R)-N-{3-[(4R)-4-[(1R,3aS,3bR,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-[(2R,3S,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキサンアミド]プロピル}ペンタンアミド]プロピル}-2,3,4,5,6-ペンタヒドロキシヘキサンアミド
  • (2R,3S,4R,5R)-N-{3-[(4R)-4-[(1R,3aS,3bR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-N-{3-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido]propyl}pentanamido]propyl}-2,3,4,5,6-pentahydroxyhexanamide
Other name (1)：
  • N,N-Bis[3-[(D-glucose-1-yl)amino]propyl]-3α,12α-dihydroxycholane-24-oic amide
Thsaurus map：
Thesaurus Map

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