Chemical Compound

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]hexanamide

CAS Registry Number 86303-22-2
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(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]hexanamide 结构式
Primary record

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]hexanamide

库存
7,529 克
纯度
98.5 %
CAS
86303-22-2

化合物标识与属性

CAS
86303-22-2
PubChem CID
9919170
SMILES
C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Canonical 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)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

名称与同义词

  • BIGCHAP
  • Big CHAP
  • Bigchap [MI]
  • 86303-22-2
  • DEOXY-BIGCHAP
  • UNII-7MI8P70R4A
  • RefChem:201905
  • 7MI8P70R4A
  • SCHEMBL320790
  • N,N-Bis(3-(D-gluconamido)propyl)cholamide
  • N,N-Bis[3-D-gluconamidopropyl]cholamide
  • C42H75N3O16
  • MFCD00082541
  • N,N-Bis(3-D-gluconamidopropyl)cholamide
  • ZINC169615616
  • CID9919170
  • DB18793
  • HY-W155121
  • CID 9919170
  • BS-23485
  • N,N-Bis[3-D-gluconamidopropyl]cholamide (Ultra Pure)
  • J714.646I
  • N,N-Bis[3-(D-gluconamido)propyl]cholamide
  • CS-0211512
  • FT-0624509
  • 303B222
  • Q27268573
  • (3alpha,5beta,7alpha,12alpha)-N,N-Bis(3-(D-gluconoylamino)propyl)-3,7,12-trihydroxycholan-24-amide
  • Cholan-24-amide, N,N-bis(3-(D-gluconoylamino)propyl)-3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-
  • (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-N,N-BIS(3-(D-GLUCONOYLAMINO)PROPYL)-3,7,12-TRIHYDROXYCHOLAN-24-AMIDE
  • CHOLAN-24-AMIDE, N,N-BIS(3-(D-GLUCONOYLAMINO)PROPYL)-3,7,12-TRIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-
  • (3a,5b,7a,12a)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxy-cholan-24-amide
  • N,N-Bis[3-(D-gluconoylamino)propyl]-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-amide
  • (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]hexanamide
  • (2R,3S,4R,5R)-N-{3-[(4R)-4-[(1R,3aS,3bR,4R,5aS,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
  • (2R,3S,4R,5R)-N-{3-[(4R)-4-[(1R,3AS,3BR,4R,5AS,7R,9AS,9BS,11S,11AR)-4,7,11-TRIHYDROXY-9A,11A-DIMETHYL-TETRADECAHYDRO-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
  • (3-alpha,5-beta,7-alpha,12-alpha)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxycholan-24-amide
  • (3|A,5|A,7|A,12|A)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxy-cholan-24-amide
  • Cholan-24-amide, N,N-bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxy-, (3a,5ss,7a,12a)- (9CI, ACI); (3a,5ss,7a,12a)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxycholan-24-amide (ACI); (3a,5ss,7a,12a)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxy-cholan-24-amide; BigCHAP
  • N,N-Bis[3-[(D-glucose)-1-ylamino]propyl]-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-amide