Chem
J-GLOBAL ID：200907036943048007   Nikkaji number：J2.394.916D

N,N-Bis[3-[(D-glucose-1-yl)amino]propyl]-3α,7α,12α-trihydroxycholane-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,7α,12α-トリヒドロキシコラン-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： C42H75N3O16
Molecular formula furigana： C42-H75-N3-O16
Molecular weight： 878.067
InChI： InChI=1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)19-46)15-5-13-44-40(61)38(59)36(57)34(55)29(51)20-47/h21-30,32-38,46-52,54-59H,4-20H2,1-3H3,(H,43,60)(H,44,61)/t21-,22?,23-,24-,25+,26+,27-,28-,29-,30+,32+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
InChI key： ZWEVPYNPHSPIFU-INJDMNNLSA-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]3[C@H](O)CC4C[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,7α,12α-トリヒドロキシコラン-24-酸アミド
  • (2R,3S,4R,5R)-N-{3-[(4R)-4-[(1R,3aS,3bR,4R,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]-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,4R,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-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,7α,12α-trihydroxycholane-24-oic amide
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM