Chem
J-GLOBAL ID：201007034013936385   Nikkaji number：J2.783.302K

Premithramycin A2′

プレミトラマイシンA2′
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： C33H38O15
Molecular formula furigana： C33-H38-O15
Molecular weight： 674.652
InChI： InChI=1S/C33H38O15/c1-11(34)23-29(41)30(44-4)17-7-15-5-14-6-16(35)8-18(36)24(14)28(40)25(15)32(43)33(17,31(23)42)48-22-10-20(27(39)13(3)46-22)47-21-9-19(37)26(38)12(2)45-21/h5-6,8,12-13,17,19-22,26-27,30,35-41H,7,9-10H2,1-4H3/t12-,13-,17?,19-,20-,21+,22+,26+,27-,30+,33-/m1/s1
InChI key： FANJWAKCIVIYMP-ZXOKQPJKSA-N
SMILES： CO[C@H]1C2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[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-(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]-3,8,10,11-テトラヒドロキシ-4β-メトキシ-4,4a,5,12a-テトラヒドロナフタセン-1,12-ジオン
  • (4S,12aS)-2-アセチル-12a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5R,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}-3,8,10,11-テトラヒドロキシ-4-メトキシ-1,4,4a,5,12,12a-ヘキサヒドロテトラセン-1,12-ジオン
  • (4S,12aS)-2-acetyl-12a-{[(2S,4R,5R,6R)-4-{[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-3,8,10,11-tetrahydroxy-4-methoxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione
Other name (3)：
  • 2-Acetyl-12aβ-[3-O-(2,6-dideoxy-β-D-lyxo-hexopyranosyl)-2,6-dideoxy-β-D-arabino-hexopyranosyloxy]-3,8,10,11-tetrahydroxy-4β-methoxy-4,4a,5,12a-tetrahydronaphthacene-1,12-dione
  • Premithramycin A2′
  • プレミトラマイシンA2′
KEGG COMPOUND： C12385
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