| SpectraBase Compound ID | HvNzBu2QgSU |
|---|---|
| InChI | InChI=1S/C72H87F3O44/c1-26(76)93-21-46-52(98-31(6)81)57(99-32(7)82)63(105-38(13)88)68(112-46)117-54-48(23-95-28(3)78)114-70(65(107-40(15)90)59(54)101-34(9)84)119-56-50(25-97-30(5)80)115-71(66(108-41(16)91)61(56)103-36(11)86)118-55-49(24-96-29(4)79)113-69(64(106-39(14)89)60(55)102-35(10)85)116-53-47(22-94-27(2)77)111-67(62(104-37(12)87)58(53)100-33(8)83)109-42-17-18-43-44(72(73,74)75)20-51(92)110-45(43)19-42/h17-20,46-50,52-71H,21-25H2,1-16H3/t46-,47-,48-,49-,50-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+/m1/s1 |
| InChIKey | ZNOSQNAVALULPX-KLVMANIISA-N |
| Mol Weight | 1713.4 g/mol |
| Molecular Formula | C72H87F3O44 |
| Exact Mass | 1712.452231 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E2k0P9fVlKo |
|---|---|
| Name | 4-TRIFLUOROMETHYLUMBELLIFERYL HEXADECA-O-ACETYL-BETA-D-CELLOPENTAOSIDE |
| Comments | CK |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C72H87F3O44 |
| InChI | InChI=1S/C72H87F3O44/c1-26(76)93-21-46-52(98-31(6)81)57(99-32(7)82)63(105-38(13)88)68(112-46)117-54-48(23-95-28(3)78)114-70(65(107-40(15)90)59(54)101-34(9)84)119-56-50(25-97-30(5)80)115-71(66(108-41(16)91)61(56)103-36(11)86)118-55-49(24-96-29(4)79)113-69(64(106-39(14)89)60(55)102-35(10)85)116-53-47(22-94-27(2)77)111-67(62(104-37(12)87)58(53)100-33(8)83)109-42-17-18-43-44(72(73,74)75)20-51(92)110-45(43)19-42/h17-20,46-50,52-71H,21-25H2,1-16H3/t46-,47-,48-,49-,50-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+/m1/s1 |
| InChIKey | ZNOSQNAVALULPX-KLVMANIISA-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 |