Chem
J-GLOBAL ID：200907028301617277   Nikkaji number：J42.244D

Concanamycin A

コンカナマイシンA
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： C46H75NO14
Molecular formula furigana： C46-H75-N-O14
Molecular weight： 866.099
InChI： InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/t26-,27-,28-,29+,30+,31-,32?,33-,34-,35+,37-,38+,39+,40-,41-,42?,43-,46-/m1/s1
InChI key： DJZCTUVALDDONK-LTJJZHBISA-N
SMILES： CCC1[C@@H](O)[C@H](C)CC(=CC=C[C@H](OC)C(OC(=O)C(=CC(=C[C@@H](C)[C@H]1O)C)OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(=O)N)[C@@H](C)O2)[C@H](C)[C@H](O1)C=CC)C
Systematic name  (3)：
  • コンカナマイシンA
  • (2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,9R,10S,11S,12R,13R)-11-エチル-10,12-ジヒドロキシ-3,17-ジメトキシ-7,9,13,15-テトラメチル-18-オキソ-1-オキサシクロオクタデカ-4,6,14,16-テトラエン-2-イル]-3-ヒドロキシペンタン-2-イル]-2-ヒドロキシ-5-メチル-6-(プロパ-1-エン-1-イル)オキサン-4-イル]オキシ}-4-ヒドロキシ-2-メチルオキサン-3-イル カルバマート
  • (2R,3S,4R,6R)-6-{[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,9R,10S,11S,12R,13R)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-(prop-1-en-1-yl)oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl carbamate
Other name (11)：
  • 抗生物質-S-45A
  • 抗生物質-A661-I
  • Antibiotic X-4357B
  • Antibiotic S-45A
  • Antibiotic A661I
Show all
CAS registry number： 80890-47-7
KEGG COMPOUND： C15761
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