Chem
J-GLOBAL ID：201007002011208707   Nikkaji number：J2.783.305E

Premithramycin B

プレミトラマイシン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： C53H72O24
Molecular formula furigana： C53-H72-O24
Molecular weight： 1093.135
InChI： InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1
InChI key： HCTADUCAPFYREF-OFWAWROCSA-N
SMILES： CO[C@H]1[C@@H]2Cc3cc4cc(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)c(C)c(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(=O)C(=C1O)C(=O)C
Systematic name  (3)：
  • 2-アセチル-12aβ-[3-O-[3-O-(3-C-メチル-2,6-ジデオキシ-β-D-ribo-ヘキソピラノシル)-2,6-ジデオキシ-β-D-lyxo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシルオキシ]-8-[[3-O-(2,6-ジデオキシ-β-D-arabino-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]オキシ]-3,10,11-トリヒドロキシ-4,4aβ,5,12a-テトラヒドロ-4β-メトキシ-9-メチルナフタセン-1,12-ジオン
  • (4S,4aS,12aS)-2-アセチル-12a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-ジヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-8-{[(2S,4R,5R,6R)-4-{[(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}-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-3,10,11-トリヒドロキシ-4-メトキシ-9-メチル-1,4,4a,5,12,12a-ヘキサヒドロテトラセン-1,12-ジオン
  • (4S,4aS,12aS)-2-acetyl-12a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-3,10,11-trihydroxy-4-methoxy-9-methyl-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione
Other name (3)：
  • 2-Acetyl-12aβ-[3-O-[3-O-(3-C-methyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)-2,6-dideoxy-β-D-lyxo-hexopyranosyl]-2,6-dideoxy-β-D-arabino-hexopyranosyloxy]-8-[[3-O-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-3,10,11-trihydroxy-4,4aβ,5,12a-tetrahydro-4β-methoxy-9-methylnaphthacene-1,12-dione
  • Premithramycin B
  • プレミトラマイシンB
KEGG COMPOUND： C12388
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