Chem
J-GLOBAL ID：200907066435215859   Nikkaji number：J534.406I

11-O-Demethyl-7-methoxypradimicinone II

11-O-デメチル-7-メトキシプラジミシノンII
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： C28H23NO12
Molecular formula furigana： C28-H23-N-O12
Molecular weight： 565.487
InChI： InChI=1S/C28H23NO12/c1-7-4-10-15(22(34)13(7)27(38)29-8(2)28(39)40)16-18(25(37)21(10)33)26(41-3)19-17(24(16)36)20(32)11-5-9(30)6-12(31)14(11)23(19)35/h4-6,8,21,25,30-31,33-34,36-37H,1-3H3,(H,29,38)(H,39,40)/t8-,21+,25+/m1/s1
InChI key： LUUJABHWSNILKN-GXHIDNNWSA-N
SMILES： COc1c2[C@H](O)[C@@H](O)c3cc(C)c(C(=O)N[C@H](C)C(=O)O)c(O)c3c2c(O)c2C(=O)c3cc(O)cc(O)c3C(=O)c12
Systematic name  (3)：
  • N-[[(5,6,8,13-テトラヒドロ-1,5α,6β,9,11,14-ヘキサヒドロキシ-3-メチル-7-メトキシ-8,13-ジオキソベンゾ[a]ナフタセン)-2-イル]カルボニル]-D-アラニン
  • (2R)-2-{[(10S,11S)-2,5,10,11,17,19-ヘキサヒドロキシ-13-メトキシ-7-メチル-15,22-ジオキソペンタシクロ[12.8.0.03,12.04,9.016,21]ドコサ-1(14),2,4,6,8,12,16,18,20-ノナエン-6-イル]ホルムアミド}プロパン酸
  • (2R)-2-{[(10S,11S)-2,5,10,11,17,19-hexahydroxy-13-methoxy-7-methyl-15,22-dioxopentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,12,16,18,20-nonaen-6-yl]formamido}propanoic acid
Other name (3)：
  • 11-O-デメチル-7-メトキシプラジミシノンII
  • 11-O-Demethyl-7-methoxypradimicinone II
  • N-[[(5,6,8,13-Tetrahydro-1,5α,6β,9,11,14-hexahydroxy-3-methyl-7-methoxy-8,13-dioxobenzo[a]naphthacen)-2-yl]carbonyl]-D-alanine
KEGG COMPOUND： C06779
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