Chem
J-GLOBAL ID：200907062994418381   Nikkaji number：J78.367F

W-847-B

メガロミシンB
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： C46H82N2O16
Molecular formula furigana： C46-H82-N2-O16
Molecular weight： 919.160
InChI： InChI=1S/C46H82N2O16/c1-17-32-46(12,56)39(53)24(4)35(50)22(2)20-45(11,64-33-19-31(48(15)16)36(51)27(7)58-33)40(63-43-37(52)30(47(13)14)18-23(3)57-43)25(5)38(26(6)42(54)61-32)62-34-21-44(10,55)41(28(8)59-34)60-29(9)49/h22-28,30-34,36-41,43,51-53,55-56H,17-21H2,1-16H3/t22-,23-,24+,25+,26-,27+,28+,30+,31-,32?,33+,34+,36+,37-,38?,39-,40-,41+,43+,44-,45-,46-/m1/s1
InChI key： WJOASKOPJZDBAH-YUJFDBLRSA-N
SMILES： CCC1OC(=O)[C@H](C)C(O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)O[C@H]1C[C@H]([C@@H](O)[C@H](C)O1)N(C)C
Systematic name  (3)：
  • メガロマイシンA4′-O-アセタート
  • (2S,3S,4R,6R)-6-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-7-{[(2S,4R,5R,6S)-4-(ジメチルアミノ)-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-14-エチル-12,13-ジヒドロキシ-3,5,7,9,11,13-ヘキサメチル-2,10-ジオキソ-1-オキサシクロテトラデカン-4-イル]オキシ}-4-ヒドロキシ-2,4-ジメチルオキサン-3-イル アセタート
  • (2S,3S,4R,6R)-6-{[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-4-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate
Other name (8)：
  • 抗生物質XK-41B1
  • メガロミシンB
  • メガロマイシンB
  • Megalomicin B
  • Antibiotic XK-41B1
Show all
CAS registry number： 49669-75-2
Regulation number (1)：
  • OR8746830
KEGG COMPOUND： C11986
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