Chem
J-GLOBAL ID:200907000388363886
Nikkaji number:J1.945.666H
2,3,13,14-Tetrakis(3-acetoxy-4-methoxybenzyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
2,3,13,14-テトラキス(3-アセトキシ-4-メトキシベンジル)-6,7,9,10,17,18,20,21-オクタヒドロジベンゾ[b,k][1,4,7,10,13,16]ヘキサオキサシクロオクタデシン
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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:
C60 H64 O18
Molecular formula furigana:
C60-H64-O18
Molecular weight:
1073.154
InChI:
InChI=1S/C60H64O18/c1-37(61)75-57-29-41(9-13-49(57)65-5)25-45-33-53-54(34-46(45)26-42-10-14-50(66-6)58(30-42)76-38(2)62)72-22-18-70-20-24-74-56-36-48(28-44-12-16-52(68-8)60(32-44)78-40(4)64)47(35-55(56)73-23-19-69-17-21-71-53)27-43-11-15-51(67-7)59(31-43)77-39(3)63/h9-16,29-36H,17-28H2,1-8H3
InChI key:
JINYSLUSBOWHMU-UHFFFAOYSA-N
SMILES:
COc1ccc(Cc2cc3OCCOCCOc4cc(Cc5ccc(OC)c(OC(=O)C)c5)c(Cc5ccc(OC)c(OC(=O)C)c5)cc4OCCOCCOc3cc2Cc2ccc(OC)c(OC(=O)C)c2)cc1OC(=O)C
Systematic name (3):
2,3,13,14-テトラキス(3-アセトキシ-4-メトキシベンジル)-6,7,9,10,17,18,20,21-オクタヒドロジベンゾ[b,k][1,4,7,10,13,16]ヘキサオキサシクロオクタデシン
2-メトキシ-5-{[12,24,25-トリス({[3-(アセチルオキシ)-4-メトキシフェニル]メチル})-2,5,8,15,18,21-ヘキサオキサトリシクロ[20.4.0.09,14 ]ヘキサコサ-1(26),9(14),10,12,22,24-ヘキサエン-11-イル]メチル}フェニル アセタート
2-methoxy-5-{[12,24,25-tris({[3-(acetyloxy)-4-methoxyphenyl]methyl})-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14 ]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl]methyl}phenyl acetate
Other name (1):
2,3,13,14-Tetrakis(3-acetoxy-4-methoxybenzyl)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
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