Chem
J-GLOBAL ID：200907035429411759   Nikkaji number：J2.767.229I

Decoside

デコシド
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： C30H42O9
Molecular formula furigana： C30-H42-O9
Molecular weight： 546.657
InChI： InChI=1S/C30H42O9/c1-15-25(32)21(36-4)13-23(38-15)39-18-7-9-28(2)17(12-18)5-6-20-24(28)26(33)27(34)29(3)19(8-10-30(20,29)35)16-11-22(31)37-14-16/h11,15,17-21,23,25,32-33,35H,5-10,12-14H2,1-4H3/t15-,17+,18-,19+,20+,21-,23-,25-,28-,29-,30-/m0/s1
InChI key： QKBSRWIVHXFMNA-OEKLXEDWSA-N
SMILES： CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4C3=C(O)C(=O)[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O
Systematic name  (3)：
  • 3β-[(3-O-メチル-2,6-ジデオキシ-α-L-arabino-ヘキソピラノシル)オキシ]-11,14-ジヒドロキシ-12-オキソ-5β-カルダ-9(11),20(22)-ジエノリド
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,11aR)-3a,10-ジヒドロキシ-7-{[(2R,4S,5S,6S)-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}-9a,11a-ジメチル-11-オキソ-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,11aR)-3a,10-dihydroxy-7-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-11-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (5)：
  • 3β-[(3-O-Methyl-2,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-5β-carda-9(11),20(22)-dienolide
  • Decoside
  • デコシド
  • Decogenin 3-O-alpha-L-oleandroside
  • デコゲニン3-O-α-L-オレアンドロシド
CAS registry number： 111508-63-5
KEGG COMPOUND： C08860
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