Chem
J-GLOBAL ID：200907081883378792   Nikkaji number：J2.015.053J

Daldinin C

ダルジニンC
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： C21H24O9
Molecular formula furigana： C21-H24-O9
Molecular weight： 420.414
InChI： InChI=1S/C21H24O9/c1-10(19(26)27)7-15-13-8-17(24)20(4,30-12(3)22)18(25)14(13)9-28-21(15)16(23)6-5-11(2)29-21/h7-9,11,15-16,23H,5-6H2,1-4H3,(H,26,27)/b10-7+/t11-,15-,16-,20+,21-/m1/s1
InChI key： CPRXRFLFCGMELV-FZPMJDNASA-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(=O)O)O1
Systematic name  (3)：
  • (2E)-3-[(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-メチルプロペン酸
  • (2E)-3-[(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-メチルプロパ-2-エン酸
  • (2E)-3-[(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-methylprop-2-enoic acid
Other name (3)：
  • (2E)-3-[(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-methylpropenoic acid
  • Daldinin C
  • ダルジニンC
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