Chem
J-GLOBAL ID：201507017423784294   Nikkaji number：J3.401.241E

(E)-1-(2-O,3-O,4-O,6-O-Tetrabenzoyl-β-D-galactopyranosyloxy)-6-[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-hexene

(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)-6-[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-ヘキセン
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： C78H63F51O10
Molecular formula furigana： C78-H63-F51-O10
Molecular weight： 2129.271
InChI： InChI=1S/C78H63F51O10/c79-55(80,58(85,86)61(91,92)64(97,98)67(103,104)70(109,110)73(115,116)76(121,122)123)35-21-8-19-33-54(37-38-57(83,84)60(89,90)63(95,96)66(101,102)69(107,108)72(113,114)75(119,120)78(127,128)129,34-20-9-22-36-56(81,82)59(87,88)62(93,94)65(99,100)68(105,106)71(111,112)74(117,118)77(124,125)126)32-18-2-1-3-23-39-134-53-48(139-52(133)44-30-16-7-17-31-44)47(138-51(132)43-28-14-6-15-29-43)46(137-50(131)42-26-12-5-13-27-42)45(136-53)40-135-49(130)41-24-10-4-11-25-41/h3-7,10-17,23-31,45-48,53H,1-2,8-9,18-22,32-40H2/b23-3+/t45-,46+,47+,48-,53-/m1/s1
InChI key： XSYXSGWAYQKTTF-YVBRQTRASA-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)(CCCC/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)-6-[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-ヘキセン
  • [(2R,3S,4S,5R,6R)-3,4,5-トリス(ベンゾイルオキシ)-6-{[(2E)-14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-ヘプタデカフルオロ-8-(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)-8-(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)ヘンイコサ-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)-14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-heptadecafluoro-8-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-8-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)henicos-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)-6-[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-hexene
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