Chem
J-GLOBAL ID：200907033344293053   Nikkaji number：J1.260.374F

Premithramycin A1

プレミトラマイシンA1
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： C27H28O12
Molecular formula furigana： C27-H28-O12
Molecular weight： 544.509
InChI： InChI=1S/C27H28O12/c1-9(28)18-23(34)24(37-3)14-6-12-4-11-5-13(29)7-15(30)19(11)22(33)20(12)26(36)27(14,25(18)35)39-17-8-16(31)21(32)10(2)38-17/h4-5,7,10,14,16-17,21,24,29-34H,6,8H2,1-3H3/t10-,14+,16-,17+,21-,24+,27-/m1/s1
InChI key： RPAFQXAVFGSQFL-NYJNVLOGSA-N
SMILES： CO[C@H]1[C@@H]2Cc3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)C(=O)C(=C1O)C(=O)C
Systematic name  (3)：
  • (4S,4aS,12aS)-2-アセチル-12a-[(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)オキシ]-4a,12a-ジヒドロ-3,8,10,11-テトラヒドロキシ-4-メトキシ-1,12(4H,5H)-ナフタセンジオン
  • (4S,4aS,12aS)-2-アセチル-12a-{[(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}-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,4aS,12aS)-2-acetyl-12a-{[(2S,4R,5S,6R)-4,5-dihydroxy-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)：
  • (4S,4aS,12aS)-2-Acetyl-12a-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-4a,12a-dihydro-3,8,10,11-tetrahydroxy-4-methoxy-1,12(4H,5H)-naphthacenedione
  • プレミトラマイシンA1
  • Premithramycin A1
KEGG COMPOUND： C12384
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