Chem
J-GLOBAL ID：201007010573064867   Nikkaji number：J2.799.129G

Medicarpin 3-O-glucoside-6′-malonate

メジカルピン3-O-グルコシド-6′-マロナート
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： C25H26O12
Molecular formula furigana： C25-H26-O12
Molecular weight： 518.471
InChI： InChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1
InChI key： BQAJKXKYTQTBDK-PCHDOLKHSA-N
SMILES： COc1ccc2[C@@H]3COc4cc(O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc4[C@@H]3Oc2c1
Systematic name  (3)：
  • 3-[6-O-(カルボキシアセチル)-β-D-グルコピラノシルオキシ]6aα,11aα-ジヒドロ-9-メトキシ-6H-ベンゾフロ[3,2-c][1]ベンゾピラン
  • 3-オキソ-3-{[(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[(1R,10R)-14-メトキシ-8,17-ジオキサテトラシクロ[8.7.0.02,7.011,16]ヘプタデカ-2,4,6,11,13,15-ヘキサエン-5-イル]オキシ}オキサン-2-イル]メトキシ}プロパン酸
  • 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1R,10R)-14-methoxy-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaen-5-yl]oxy}oxan-2-yl]methoxy}propanoic acid
Other name (3)：
  • 3-[6-O-(Carboxyacetyl)-β-D-glucopyranosyloxy]6aα,11aα-dihydro-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran
  • Medicarpin 3-O-glucoside-6′-malonate
  • メジカルピン3-O-グルコシド-6′-マロナート
KEGG COMPOUND： C16224
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