Chem
J-GLOBAL ID:200907000231415491   Nikkaji number:J499.848K

Malonic acid hydrogen 1-[2-[3′,3′-dimethyl-6-nitro-8-(docosanoyloxymethyl)spiro[2H-1-benzopyran-2,2′-indolin]-1′-yl]ethyl] ester

マロン酸水素1-[2-[3′,3′-ジメチル-6-ニトロ-8-(ドコサノイルオキシメチル)スピロ[2H-1-ベンゾピラン-2,2′-インドリン]-1′-イル]エチル]
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: C46H66N[N+]O8[O-]
Molecular formula furigana: C46-H66-N2-O9
Molecular weight: 791.039
InChI: InChI=1S/C46H66N2O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-42(51)56-35-37-33-38(48(53)54)32-36-28-29-46(57-44(36)37)45(2,3)39-25-23-24-26-40(39)47(46)30-31-55-43(52)34-41(49)50/h23-26,28-29,32-33H,4-22,27,30-31,34-35H2,1-3H3,(H,49,50)
InChI key: JFSSOALYPNXEBI-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCc1cc(cc2C=CC3(Oc12)N(CCOC(=O)CC(=O)O)c1ccccc1C3(C)C)[N+](=O)[O-]
Systematic name  (3):
  • マロン酸水素1-[2-[3′,3′-ジメチル-6-ニトロ-8-(ドコサノイルオキシメチル)スピロ[2H-1-ベンゾピラン-2,2′-インドリン]-1′-イル]エチル]
  • 3-(2-{8-[(ドコサノイルオキシ)メチル]-3',3'-ジメチル-6-ニトロ-1',3'-ジヒドロスピロ[クロメン-2,2'-インドール]-1'-イル}エトキシ)-3-オキソプロパン酸
  • 3-(2-{8-[(docosanoyloxy)methyl]-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-1'-yl}ethoxy)-3-oxopropanoic acid
Other name (1):
  • Malonic acid hydrogen 1-[2-[3′,3′-dimethyl-6-nitro-8-(docosanoyloxymethyl)spiro[2H-1-benzopyran-2,2′-indolin]-1′-yl]ethyl] ester
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