Chem
J-GLOBAL ID：201507019280799212   Nikkaji number：J3.401.238E

(E)-1-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-galactopyranosyloxy)-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadecyl]-2-butene

(E)-1-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-ガラクトピラノシルオキシ)-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ヘプタデカフルオロペンタデシル]-2-ブテン
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： C76H59F51O10
Molecular formula furigana： C76-H59-F51-O10
Molecular weight： 2101.217
InChI： InChI=1S/C76H59F51O10/c77-53(78,56(83,84)59(89,90)62(95,96)65(101,102)68(107,108)71(113,114)74(119,120)121)33-19-5-16-30-52(35-36-55(81,82)58(87,88)61(93,94)64(99,100)67(105,106)70(111,112)73(117,118)76(125,126)127,31-17-6-20-34-54(79,80)57(85,86)60(91,92)63(97,98)66(103,104)69(109,110)72(115,116)75(122,123)124)32-18-7-21-37-132-51-46(137-50(131)42-28-14-4-15-29-42)45(136-49(130)41-26-12-3-13-27-41)44(135-48(129)40-24-10-2-11-25-40)43(134-51)38-133-47(128)39-22-8-1-9-23-39/h1-4,7-15,21-29,43-46,51H,5-6,16-20,30-38H2/b21-7+/t43-,44+,45+,46-,51-/m1/s1
InChI key： RCQSKSMMWPAXFQ-OZAFSJSWSA-N
SMILES： FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCC(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CC/C=C/CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Systematic name  (3)：
  • (E)-1-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-ガラクトピラノシルオキシ)-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-ヘプタデカフルオロペンタデシル]-2-ブテン
  • [(2R,3S,4S,5R,6R)-3,4,5-トリス(ベンゾイルオキシ)-6-{[(2E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-ヘプタデカフルオロ-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-ヘプタデカフルオロデシル)-6-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-ヘプタデカフルオロトリデシル)ノナデカ-2-エン-1-イル]オキシ}オキサン-2-イル]メチル ベンゾアート
  • [(2R,3S,4S,5R,6R)-3,4,5-tris(benzoyloxy)-6-{[(2E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluoro-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-6-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)nonadec-2-en-1-yl]oxy}oxan-2-yl]methyl benzoate
Other name (1)：
  • (E)-1-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-galactopyranosyloxy)-4-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadecyl]-2-butene
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