| CAS Number | 680571-51-1 |
| Catalog Number | AG00FGZ6(AGN-PC-00848Y) |
| Chemical Name | Kigamicin C |
| IUPAC Name | (6S,8R,9S,17R,23R)-2,6,9,30-tetrahydroxy-8-[(2S,5S,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-23-methyl-11,14,16,24-tetraoxa-27-azaoctacyclo[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]dotriaconta-1(32),2,5(10),12,19,21(29),30-heptaene-4,28-dione |
| InChI | InChI=1S/C41H47NO16/c1-15-20(56-25-12-22(50-4)32(44)16(2)55-25)5-6-24(54-15)57-23-11-19(43)28-35(47)31-36(48)30-26-17(9-18-13-41(3)42(7-8-53-41)40(49)27(18)34(26)46)10-21-29(30)38(52-14-51-21)39(31)58-37(28)33(23)45/h9,15-16,19-25,32-33,43-46,48H,5-8,10-14H2,1-4H3/t15-,16-,19+,20+,21-,22-,23-,24+,25+,32-,33+,41-/m1/s1 |
| InChI Key | JXSADZFORZMJRI-KUPVXKSBSA-N |
| MDL Number | MFCD09954098 |
| Molecular Formula | C41H47NO16 |
| Molecular Weight | 809.8090 |
| SMILES | O=C1C2=C([C@@H](O)[C@H](O[C@]3([H])O[C@H](C)[C@@H](O[C@@]4([H])C[C@@H](OC)[C@H](O)[C@@H](C)O4)CC3)C[C@@H]2O)OC(C1=C5O)=C6OCO[C@@]7([H])C6=C5C(C(O)=C(C(N(CCO8)[C@@]8(C)C9)=O)C9=C%10)=C%10C7 |
| Synonyms | kigamicin C,
Kigamicin C,
680571-51-1,
ZINC169742150,
CID11764292,
CID 11388744,
|