Chem
J-GLOBAL ID：201007090223223990   Nikkaji number：J2.783.336E

Urdamycin F

ウルダマイシンF
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： C43H58O18
Molecular formula furigana： C43-H58-O18
Molecular weight： 862.919
InChI： InChI=1S/C43H58O18/c1-17-23(44)8-10-31(56-17)61-43-29(47)15-41(5,53)16-42(43,54)14-25(46)34-35(43)39(51)22-7-6-21(38(50)33(22)40(34)52)27-13-28(37(49)20(4)55-27)60-30-11-9-26(18(2)57-30)59-32-12-24(45)36(48)19(3)58-32/h6-7,17-20,23-28,30-32,36-37,44-46,48-50,53-54H,8-16H2,1-5H3/t17-,18-,19+,20+,23-,24+,25+,26-,27+,28+,30-,31-,32-,36+,37+,41-,42-,43-/m0/s1
InChI key： YYDWXWUQQJUOKE-WIDMLWBLSA-N
SMILES： C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C[C@@H](O)C1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O
Systematic name  (3)：
  • (3R)-3α,4aα,6β,8-テトラヒドロキシ-9-[3-O-[4-O-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-2,3,6-トリデオキシ-α-L-threo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル]-12bα-(2,3,6-トリデオキシ-α-L-threo-ヘキソピラノシルオキシ)-3,4,4a,5,6,12b-ヘキサヒドロ-3-メチルベンゾ[a]アントラセン-1,7,12(2H)-トリオン
  • (3R,4aS,6R,12bS)-9-[(2R,4R,5R,6R)-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル]オキシ}-5-ヒドロキシ-6-メチルオキサン-2-イル]-3,4a,6,8-テトラヒドロキシ-12b-{[(2S,5S,6S)-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-3-メチル-1,2,3,4,4a,5,6,7,12,12b-デカヒドロテトラフェン-1,7,12-トリオン
  • (3R,4aS,6R,12bS)-9-[(2R,4R,5R,6R)-4-{[(2S,5S,6S)-5-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]-3,4a,6,8-tetrahydroxy-12b-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-1,2,3,4,4a,5,6,7,12,12b-decahydrotetraphene-1,7,12-trione
Other name (3)：
  • (3R)-3α,4aα,6β,8-Tetrahydroxy-9-[3-O-[4-O-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-2,3,6-trideoxy-α-L-threo-hexopyranosyl]-2,6-dideoxy-β-D-arabino-hexopyranosyl]-12bα-(2,3,6-trideoxy-α-L-threo-hexopyranosyloxy)-3,4,4a,5,6,12b-hexahydro-3-methylbenzo[a]anthracene-1,7,12(2H)-trione
  • Urdamycin F
  • ウルダマイシンF
CAS registry number： 104562-12-1
KEGG COMPOUND： C12411
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