Chem
J-GLOBAL ID:200907051501044257   Nikkaji number:J1.989.523H

3-Hydroxy-3-[2-methyl-3,7,10-trioxo-4-[(octyloxy)methoxy]-8-(benzyloxymethyl)-11-hydroxy-2,3,7,10-tetrahydro-1H-naphtho[2,3-e]isoindole-9-yl]propanoic acid tert-butyl ester

3-ヒドロキシ-3-[2-メチル-3,7,10-トリオキソ-4-[(オクチルオキシ)メトキシ]-8-(ベンジルオキシメチル)-11-ヒドロキシ-2,3,7,10-テトラヒドロ-1H-ナフト[2,3-e]イソインドール-9-イル]プロパン酸tert-ブチル
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: C41H49NO10
Molecular formula furigana: C41-H49-N-O10
Molecular weight: 715.840
InChI: InChI=1S/C41H49NO10/c1-6-7-8-9-10-14-17-49-24-51-31-19-26-18-27-36(38(46)33(26)28-21-42(5)40(48)35(28)31)39(47)34(30(43)20-32(44)52-41(2,3)4)29(37(27)45)23-50-22-25-15-12-11-13-16-25/h11-13,15-16,18-19,30,43,46H,6-10,14,17,20-24H2,1-5H3
InChI key: IXAQOSDOWXOZBR-UHFFFAOYSA-N
SMILES: CCCCCCCCOCOc1cc2cc3C(=O)C(=C(C(O)CC(=O)OC(C)(C)C)C(=O)c3c(O)c2c2CN(C)C(=O)c12)COCc1ccccc1
Systematic name  (3):
  • 3-ヒドロキシ-3-[2-メチル-3,7,10-トリオキソ-4-[(オクチルオキシ)メトキシ]-8-(ベンジルオキシメチル)-11-ヒドロキシ-2,3,7,10-テトラヒドロ-1H-ナフト[2,3-e]イソインドール-9-イル]プロパン酸tert-ブチル
  • tert-ブチル 3-{8-[(ベンジルオキシ)メチル]-11-ヒドロキシ-2-メチル-4-[(オクチルオキシ)メトキシ]-3,7,10-トリオキソ-1H,2H,3H,7H,10H-ナフト[2,3-e]イソインドール-9-イル}-3-ヒドロキシプロパノアート
  • tert-butyl 3-{8-[(benzyloxy)methyl]-11-hydroxy-2-methyl-4-[(octyloxy)methoxy]-3,7,10-trioxo-1H,2H,3H,7H,10H-naphtho[2,3-e]isoindol-9-yl}-3-hydroxypropanoate
Other name (1):
  • 3-Hydroxy-3-[2-methyl-3,7,10-trioxo-4-[(octyloxy)methoxy]-8-(benzyloxymethyl)-11-hydroxy-2,3,7,10-tetrahydro-1H-naphtho[2,3-e]isoindole-9-yl]propanoic acid tert-butyl ester
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