![HEXAKIS-[2,3-DI-O-METHYL-6-O-(4-HYDROXYMETHYLPHENYL)]-ALPHA-CYCLODEXTRIN;2A,2B,2C,2D,2F,3A,3B,3D,3E,3F-DODECA-O-METHYL-6A,6B,6C,6D,](/api/spectrum/EriCmynTr02/structure.png?h=300&w=458 "HEXAKIS-[2,3-DI-O-METHYL-6-O-(4-HYDROXYMETHYLPHENYL)]-ALPHA-CYCLODEXTRIN;2A,2B,2C,2D,2F,3A,3B,3D,3E,3F-DODECA-O-METHYL-6A,6B,6C,6D,")
| SpectraBase Compound ID | 8JsWqh29Pgu |
|---|---|
| InChI | InChI=1S/C90H120O36/c1-97-73-67-61(43-109-55-25-13-49(37-91)14-26-55)115-85(79(73)103-7)122-68-62(44-110-56-27-15-50(38-92)16-28-56)117-87(81(105-9)74(68)98-2)124-70-64(46-112-58-31-19-52(40-94)20-32-58)119-89(83(107-11)76(70)100-4)126-72-66(48-114-60-35-23-54(42-96)24-36-60)120-90(84(108-12)78(72)102-6)125-71-65(47-113-59-33-21-53(41-95)22-34-59)118-88(82(106-10)77(71)101-5)123-69-63(45-111-57-29-17-51(39-93)18-30-57)116-86(121-67)80(104-8)75(69)99-3/h13-36,61-96H,37-48H2,1-12H3/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m1/s1 |
| InChIKey | POKZSQMXZJJHRF-HTSITQPHSA-N |
| Mol Weight | 1777.9 g/mol |
| Molecular Formula | C90H120O36 |
| Exact Mass | 1776.75593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EriCmynTr02 |
|---|---|
| Name | HEXAKIS-[2,3-DI-O-METHYL-6-O-(4-HYDROXYMETHYLPHENYL)]-ALPHA-CYCLODEXTRIN;2A,2B,2C,2D,2F,3A,3B,3D,3E,3F-DODECA-O-METHYL-6A,6B,6C,6D, |
| Compound Number | 4-HMP-DM-ALPHA-CD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H120O36 |
| InChI | InChI=1S/C90H120O36/c1-97-73-67-61(43-109-55-25-13-49(37-91)14-26-55)115-85(79(73)103-7)122-68-62(44-110-56-27-15-50(38-92)16-28-56)117-87(81(105-9)74(68)98-2)124-70-64(46-112-58-31-19-52(40-94)20-32-58)119-89(83(107-11)76(70)100-4)126-72-66(48-114-60-35-23-54(42-96)24-36-60)120-90(84(108-12)78(72)102-6)125-71-65(47-113-59-33-21-53(41-95)22-34-59)118-88(82(106-10)77(71)101-5)123-69-63(45-111-57-29-17-51(39-93)18-30-57)116-86(121-67)80(104-8)75(69)99-3/h13-36,61-96H,37-48H2,1-12H3/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m1/s1 |
| InChIKey | POKZSQMXZJJHRF-HTSITQPHSA-N |
| Literature Reference Author | P.R.ASHTON,E.Y.HARTWELL,D.PHILP,N.SPENCER,J.F.STODDART |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1263(1995) |
| Literature Reference DOI | 10.1039/p29950001263 |
| Molecular Weight | 1777.921 g/mol |
| Solvent | CDCl3 |