Chem
J-GLOBAL ID:200907028577897974
Nikkaji number:J412.534G
1,1′-[6,14-Dihydroxy-8,12-dioxoicosane-1,20-diylbis(1,3-dithiane-2,2-diyl)]bis(2-heptanol)
6,14-ジヒドロキシ-1,20-ビス[2-(2-ヒドロキシヘプチル)-1,3-ジチアン-2-イル]イコサン-8,12-ジオン
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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:
C42 H78 O6 S4
Molecular formula furigana:
C42-H78-O6-S4
Molecular weight:
807.320
InChI:
InChI=1S/C42H78O6S4/c1-3-5-10-21-39(47)33-41(49-27-17-28-50-41)25-14-8-7-12-19-35(43)31-37(45)23-16-24-38(46)32-36(44)20-13-9-15-26-42(51-29-18-30-52-42)34-40(48)22-11-6-4-2/h35-36,39-40,43-44,47-48H,3-34H2,1-2H3
InChI key:
GSAGJJBTEZYYKI-UHFFFAOYSA-N
SMILES:
CCCCCC(O)CC1(CCCCCCC(O)CC(=O)CCCC(=O)CC(O)CCCCCC2(CC(O)CCCCC)SCCCS2)SCCCS1
Systematic name (3):
1,1′-[6,14-ジヒドロキシ-8,12-ジオキソイコサン-1,20-ジイルビス(1,3-ジチアン-2,2-ジイル)]ビス(2-ヘプタノール)
6,14-ジヒドロキシ-1,20-ビス[2-(2-ヒドロキシヘプチル)-1,3-ジチアン-2-イル]イコサン-8,12-ジオン
6,14-dihydroxy-1,20-bis[2-(2-hydroxyheptyl)-1,3-dithian-2-yl]icosane-8,12-dione
Other name (1):
1,1′-[6,14-Dihydroxy-8,12-dioxoicosane-1,20-diylbis(1,3-dithiane-2,2-diyl)]bis(2-heptanol)
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