Chem
J-GLOBAL ID：200907002044571989   Nikkaji number：J161.360J

Aquayamycin

アクアヤマイシン
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： C25H26O10
Molecular formula furigana： C25-H26-O10
Molecular weight： 486.473
InChI： InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3/t10-,14-,15-,19-,23+,24+,25+/m1/s1
InChI key： KCOULPRVOZDQEL-IFNZWHIZSA-N
SMILES： C[C@H]1O[C@H](C[C@@H](O)[C@@H]1O)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O)C(=O)c2c1O
Systematic name  (3)：
  • (3R)-9-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-3,4,4a,12b-テトラヒドロ-3α,4aα,8,12bα-テトラヒドロキシ-3-メチルベンゾ[a]アントラセン-1,7,12(2H)-トリオン
  • (3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]-3,4a,8,12b-テトラヒドロキシ-3-メチル-1,2,3,4,4a,7,12,12b-オクタヒドロテトラフェン-1,7,12-トリオン
  • (3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione
Other name (6)：
  • アクアイアマイシン
  • Aquayamycin
  • アクアヤマイシン
  • ウルダマイシノンA
  • (3R)-9-(2,6-Dideoxy-β-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3α,4aα,8,12bα-tetrahydroxy-3-methylbenz[a]anthracene-1,7,12(2H)-trione
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CAS registry number： 26055-63-0
Regulation number (1)：
  • CX4901000
KEGG COMPOUND： C12412
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