Chem
J-GLOBAL ID：200907075297802542   Nikkaji number：J34.202E

Lonomycin A

ロノマイシン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： C44H76O14
Molecular formula furigana： C44-H76-O14
Molecular weight： 829.078
InChI： InChI=1S/C44H76O14/c1-21-29(49-12)20-43(56-31(21)22(2)32-23(3)34(51-14)27(7)44(48,57-32)28(8)39(45)46)19-18-40(9,58-43)30-16-17-41(10,54-30)38-25(5)35(52-15)37(53-38)36-24(4)33(50-13)26(6)42(11,47)55-36/h21-38,47-48H,16-20H2,1-15H3,(H,45,46)/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38-,40+,41+,42+,43-,44-/m1/s1
InChI key： BKZOUCVNTCLNFF-IGXZVFLKSA-N
SMILES： CO[C@@H]1[C@H](C)[C@@H](O[C@H]1[C@H]1O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]1C)[C@]1(C)CC[C@@H](O1)[C@]1(C)CC[C@]2(C[C@H](OC)[C@@H](C)[C@H](O2)[C@@H](C)[C@H]2O[C@@](O)([C@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@H]2C)O1
Systematic name  (3)：
  • ロノマイシンA
  • (2S)-2-[(2R,3R,4S,5R,6S)-2-ヒドロキシ-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,4'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-ヒドロキシ-4-メトキシ-3,5,6-トリメチルオキサン-2-イル]-4'-メトキシ-2,3'-ジメチル-[2,2'-ビオキソラン]-5-イル]-9-メトキシ-2,8-ジメチル-1,6-ジオキサスピロ[4.5]デカン-7-イル]エチル]-4-メトキシ-3,5-ジメチルオキサン-2-イル]プロパン酸
  • (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,4'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4'-methoxy-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-methoxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid
Other name (5)：
  • エメリシド
  • 抗生物質DE-3936
  • Emericid
  • Antibiotic DE-3936
  • Lonomycin A
CAS registry number： 58785-63-0
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