Chem
J-GLOBAL ID:200907051572443829   Nikkaji number:J870.518F

Heliquinomycin

ヘリキノマイシン
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: C33H30O17
Molecular formula furigana: C33-H30-O17
Molecular weight: 698.586
InChI: InChI=1S/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,35-36,38-40H,7,9H2,1-4H3/t10-,15+,17-,18-,23-,30-,33-/m1/s1
InChI key: MLFZQFHGXSVTGX-OEQCCVQYSA-N
SMILES: CO[C@H]1C[C@@H](O[C@@H]2c3c(O[C@]42Oc2c(C[C@H]4O)cc4cc(oc(=O)c4c2O)C(=O)OC)c(O)c2C(=O)C(=CC(=O)c2c3O)OC)O[C@H](C)[C@H]1O
Systematic name  (3):
  • (2R,3R,3′R)-3,4′,9′,10-テトラヒドロキシ-3′-[(3-O-メチル-2,6-ジデオキシ-α-D-ribo-ヘキソピラノシル)オキシ]-5′,8′,9-トリオキソ-7′-メトキシ-4,5′,8′,9-テトラヒドロスピロ[ベンゾ[1,2-b:5,4-c′]ジピラン-2(3H),2′(3′H)-ナフト[2,3-b]フラン]-7-カルボン酸メチル
  • メチル (2R,3R,3'R)-3',4,9,10'-テトラヒドロキシ-3-{[(2R,4S,5R,6R)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-7-メトキシ-5,8,9'-トリオキソ-4',5,8,9'-テトラヒドロ-3H,3'H-スピロ[ナフト[2,3-b]フラン-2,2'-ピラノ[3,2-g]イソクロメン]-7'-カルボキシラート
  • methyl (2R,3R,3'R)-3',4,9,10'-tetrahydroxy-3-{[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-7-methoxy-5,8,9'-trioxo-4',5,8,9'-tetrahydro-3H,3'H-spiro[naphtho[2,3-b]furan-2,2'-pyrano[3,2-g]isochromene]-7'-carboxylate
Other name (3):
  • ヘリキノマイシン
  • (2R,3R,3′R)-3,4′,9′,10-Tetrahydroxy-3′-[(3-O-methyl-2,6-dideoxy-α-D-ribo-hexopyranosyl)oxy]-5′,8′,9-trioxo-7′-methoxy-4,5′,8′,9-tetrahydrospiro[benzo[1,2-b:5,4-c′]dipyran-2(3H),2′(3′H)-naphtho[2,3-b]furan]-7-carboxylic acid methyl ester
  • Heliquinomycin
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