Chem
J-GLOBAL ID：200907003013960550   Nikkaji number：J14.475D

Kirromycin

キロマイシン
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： C43H60N2O12
Molecular formula furigana： C43-H60-N2-O12
Molecular weight： 796.955
InChI： InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/t27-,28+,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1
InChI key： HMSYAPGFKGSXAJ-KHUGZSCQSA-N
SMILES： CC[C@@H](C(=O)NCC=CC=C(C)[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](C=CC=CC=C(C)C(=O)c2c(O)cc[nH]c2=O)[C@H](O)[C@@H]1O)[C@@]1(O)O[C@@H](C=CC=CC)C(C)(C)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • モシマイシン
  • (2R)-N-[(6S,7R)-7-[(2S,3S,4R,5R)-3,4-ジヒドロキシ-5-[7-(4-ヒドロキシ-2-オキソ-1,2-ジヒドロピリジン-3-イル)-6-メチル-7-オキソヘプタ-1,3,5-トリエン-1-イル]オキソラン-2-イル]-6-メトキシ-5-メチルオクタ-2,4-ジエン-1-イル]-2-[(2R,3R,4R,6S)-2,3,4-トリヒドロキシ-5,5-ジメチル-6-(ペンタ-1,3-ジエン-1-イル)オキサン-2-イル]ブタンアミド
  • (2R)-N-[(6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-(penta-1,3-dien-1-yl)oxan-2-yl]butanamide
Other name (4)：
  • キロマイシン
  • モチマイシン
  • Mocimycin
  • Kirromycin
CAS registry number： 50935-71-2
Regulation number (1)：
  • EINECS2568599
Thsaurus map：
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