| SpectraBase Compound ID | db4slgI8aS |
|---|---|
| InChI | InChI=1S/C60H71F3O36/c1-22(64)78-18-39-44(82-26(5)68)48(83-27(6)69)53(88-32(11)74)57(94-39)98-46-41(20-80-24(3)66)96-59(55(90-34(13)76)50(46)85-29(8)71)99-47-42(21-81-25(4)67)95-58(54(89-33(12)75)51(47)86-30(9)72)97-45-40(19-79-23(2)65)93-56(52(87-31(10)73)49(45)84-28(7)70)91-35-14-15-36-37(60(61,62)63)17-43(77)92-38(36)16-35/h14-17,39-42,44-59H,18-21H2,1-13H3/t39-,40-,41-,42-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55-,56-,57+,58+,59+/m1/s1 |
| InChIKey | DILHPLIIZSZHDJ-SYPUAFBRSA-N |
| Mol Weight | 1425.2 g/mol |
| Molecular Formula | C60H71F3O36 |
| Exact Mass | 1424.367713 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsrMtXFcRCp |
|---|---|
| Name | 4-TRIFLUOROMETHYLUMBELLIFERYL TRIDECA-O-ACETYL-BETA-D-CELLOTETRAOSIDE |
| Comments | = |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C60H71F3O36 |
| InChI | InChI=1S/C60H71F3O36/c1-22(64)78-18-39-44(82-26(5)68)48(83-27(6)69)53(88-32(11)74)57(94-39)98-46-41(20-80-24(3)66)96-59(55(90-34(13)76)50(46)85-29(8)71)99-47-42(21-81-25(4)67)95-58(54(89-33(12)75)51(47)86-30(9)72)97-45-40(19-79-23(2)65)93-56(52(87-31(10)73)49(45)84-28(7)70)91-35-14-15-36-37(60(61,62)63)17-43(77)92-38(36)16-35/h14-17,39-42,44-59H,18-21H2,1-13H3/t39-,40-,41-,42-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55-,56-,57+,58+,59+/m1/s1 |
| InChIKey | DILHPLIIZSZHDJ-SYPUAFBRSA-N |
| Instrument Name | Bruker AM-300 |
| Literature Reference | YA.V.VOZNY, I.S.KALICHEVA, A.A.GALOYAN (1987) Bioorganich.Khim.(Russ. Lang.):v.13, N12, 1659-1664. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |