| SpectraBase Compound ID | Gh1njlS1eUj |
|---|---|
| InChI | InChI=1S/C83H112O34/c1-44-60-66(89-2)72(95-8)78(106-44)113-61-55(39-101-50-24-14-45(34-84)15-25-50)108-80(74(97-10)67(61)90-3)115-63-57(41-103-52-28-18-47(36-86)19-29-52)110-82(76(99-12)69(63)92-5)117-65-59(43-105-54-32-22-49(38-88)23-33-54)111-83(77(100-13)71(65)94-7)116-64-58(42-104-53-30-20-48(37-87)21-31-53)109-81(75(98-11)70(64)93-6)114-62-56(40-102-51-26-16-46(35-85)17-27-51)107-79(112-60)73(96-9)68(62)91-4/h14-33,55-88H,1,34-43H2,2-13H3/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-/m0/s1 |
| InChIKey | PACGQYJDGJAGRW-CRDHUGQRSA-N |
| Mol Weight | 1653.8 g/mol |
| Molecular Formula | C83H112O34 |
| Exact Mass | 1652.703501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eVvZy0W4Uv |
|---|---|
| Name | 6A-DEOXY-5A,6A-DIDEHYDRO-2A,2B,2C,2D,2E,2F,3A,3B,3C,3D,3E,3F-DODECA-O-METHYL-6B,6C,6D,6E,6F-PENTA-O-(4-HYDROXYMETHYLPHENYL)-ALPHA-CYCLODEXTRIN |
| Compound Number | A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H112O34 |
| InChI | InChI=1S/C83H112O34/c1-44-60-66(89-2)72(95-8)78(106-44)113-61-55(39-101-50-24-14-45(34-84)15-25-50)108-80(74(97-10)67(61)90-3)115-63-57(41-103-52-28-18-47(36-86)19-29-52)110-82(76(99-12)69(63)92-5)117-65-59(43-105-54-32-22-49(38-88)23-33-54)111-83(77(100-13)71(65)94-7)116-64-58(42-104-53-30-20-48(37-87)21-31-53)109-81(75(98-11)70(64)93-6)114-62-56(40-102-51-26-16-46(35-85)17-27-51)107-79(112-60)73(96-9)68(62)91-4/h14-33,55-88H,1,34-43H2,2-13H3/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,67+,68+,69+,70+,71+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-/m0/s1 |
| InChIKey | PACGQYJDGJAGRW-CRDHUGQRSA-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 | 1653.782 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU4613 |