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]
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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:
C46 H66 N[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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