Chem
J-GLOBAL ID：200907082103536517   Nikkaji number：J15.558F

Hedamycin

ヘダマイシン
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： C41H50N2O11
Molecular formula furigana： C41-H50-N2-O11
Molecular weight： 746.854
InChI： InChI=1S/C41H50N2O11/c1-16-11-22-30(37-28(16)24(44)14-27(53-37)41(6)39(54-41)36-18(3)52-36)35(48)31-29(34(22)47)20(25-13-23(42(7)8)32(45)17(2)50-25)12-21(33(31)46)26-15-40(5,43(9)10)38(49)19(4)51-26/h11-12,14,17-19,23,25-26,32,36,38-39,45-46,49H,13,15H2,1-10H3/t17-,18+,19+,23+,25-,26-,32-,36-,38-,39-,40+,41-/m1/s1
InChI key： RZOFHOWMWMTHDX-IQKNIPHUSA-N
SMILES： C[C@@H]1O[C@H]1[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3C(=O)c4c(cc([C@H]5C[C@@](C)([C@H](O)[C@H](C)O5)N(C)C)c(O)c4C(=O)c3c2o1)[C@H]1C[C@@H]([C@H](O)[C@@H](C)O1)N(C)C
Systematic name  (3)：
  • 2-[(2S,3R)-2-メチル-3-[(2R,3S)-3-メチルオキシラン-2-イル]オキシラン-2-イル]-11-ヒドロキシ-5-メチル-8-(2,3,6-トリデオキシ-3-ジメチルアミノ-β-D-arabino-ヘキソピラノシル)-10-(2,3,6-トリデオキシ-3-ジメチルアミノ-3-C-メチル-α-L-lyxo-ヘキソピラノシル)-4H-アントラ[1,2-b]ピラン-4,7,12-トリオン
  • 2-[(2R,2'R,3S,3'S)-3,3'-ジメチル-[2,2'-ビオキシラン]-3-イル]-10-[(2R,4S,5S,6S)-4-(ジメチルアミノ)-5-ヒドロキシ-4,6-ジメチルオキサン-2-イル]-8-[(2R,4S,5S,6R)-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]-11-ヒドロキシ-5-メチル-7,12-ジヒドロ-4H-1-オキサテトラフェン-4,7,12-トリオン
  • 2-[(2R,2'R,3S,3'S)-3,3'-dimethyl-[2,2'-bioxiran]-3-yl]-10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4S,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-7,12-dihydro-4H-1-oxatetraphene-4,7,12-trione
Other name (3)：
  • ヘダマイシン
  • Hedamycin
  • 2-[(2S,3R)-2-Methyl-3-[(2R,3S)-3-methyloxiran-2-yl]oxiran-2-yl]-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-dimethylamino-β-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-dimethylamino-3-C-methyl-α-L-lyxo-hexopyranosyl)-4H-anthra[1,2-b]pyran-4,7,12-trione
CAS registry number： 11048-97-8
KEGG COMPOUND： C15759
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