| CAS Number | 86303-22-2 |
| Catalog Number | AG003O6W(AGN-PC-0V3V7T) |
| Chemical Name | Bigchap |
| IUPAC Name | (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 |
| 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-AUGHYPCGSA-N |
| MDL Number | MFCD00082541 |
| Molecular Formula | C42H75N3O16 |
| Molecular Weight | 878.0554 |
| 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 |
| UNII | 7MI8P70R4A |
| Synonyms | BIGCHAP,
86303-22-2,
UNII-7MI8P70R4A,
N,N-Bis[3-D-gluconamidopropyl]cholamide,
7MI8P70R4A,
MFCD00082541,
N,N-Bis(3-(D-gluconamido)propyl)cholamide,
N,N-Bis[3-D-gluconamidopropyl]cholamide (Ultra Pure),
Bigchap [MI],
N,N-Bis[3-(D-gluconamido)propyl]cholamide,
SCHEMBL320790,
ZINC169615616,
(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)-,
303B222,
(3|A,5|A,7|A,12|A)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxy-cholan-24-amide,
DEOXY-BIGCHAP,
CID9919170,
CID 9919170,
(3-alpha,5-beta,7-alpha,12-alpha)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,7,12-trihydroxycholan-24-amide,
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