Chem
J-GLOBAL ID：200907053000815868   Nikkaji number：J2.015.051C

Daldinin E

ダルジニンE
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： C23H26O9
Molecular formula furigana： C23-H26-O9
Molecular weight： 446.452
InChI： InChI=1S/C23H26O9/c1-12(21(28)29)6-5-7-17-15-10-19(26)22(4,32-14(3)24)20(27)16(15)11-30-23(17)18(25)9-8-13(2)31-23/h5-7,10-11,13,17-18,25H,8-9H2,1-4H3,(H,28,29)/b7-5+,12-6+/t13-,17-,18-,22+,23-/m1/s1
InChI key： XRNPKNWERIXSBP-KKBPKHFCSA-N
SMILES： C[C@@H]1CC[C@@H](O)[C@]2(OC=C3C(=O)[C@@](C)(OC(=O)C)C(=O)C=C3[C@H]2/C=C/C=C(\C)/C(=O)O)O1
Systematic name  (3)：
  • (2E,4E)-5-[(3S,4R,7S,3′R,6′R)-3′-ヒドロキシ-6,8-ジオキソ-7-アセトキシ-7,6′-ジメチル-4,6,7,8,3′,4′,5′,6′-オクタヒドロスピロ[3H-2-ベンゾピラン-3,2′-[2H]ピラン]-4-イル]-2-メチル-2,4-ペンタジエン酸
  • (2E,4E)-5-[(3S,3'R,4R,6'R,7S)-7-(アセチルオキシ)-3'-ヒドロキシ-6',7-ジメチル-6,8-ジオキソ-4,6,7,8-テトラヒドロスピロ[2-ベンゾピラン-3,2'-オキサン]-4-イル]-2-メチルペンタ-2,4-ジエン酸
  • (2E,4E)-5-[(3S,3'R,4R,6'R,7S)-7-(acetyloxy)-3'-hydroxy-6',7-dimethyl-6,8-dioxo-4,6,7,8-tetrahydrospiro[2-benzopyran-3,2'-oxan]-4-yl]-2-methylpenta-2,4-dienoic acid
Other name (3)：
  • (2E,4E)-5-[(3S,4R,7S,3′R,6′R)-3′-Hydroxy-6,8-dioxo-7-acetoxy-7,6′-dimethyl-4,6,7,8,3′,4′,5′,6′-octahydrospiro[3H-2-benzopyran-3,2′-[2H]pyran]-4-yl]-2-methyl-2,4-pentadienoic acid
  • Daldinin E
  • ダルジニンE
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