| SpectraBase Compound ID | 9FlzWwZACwc |
|---|---|
| InChI | InChI=1S/C90H132O30/c1-19-37-91-55-61-67-73(97-43-25-7)79(103-49-31-13)85(109-61)116-68-62(56-92-38-20-2)111-87(81(105-51-33-15)74(68)98-44-26-8)118-70-64(58-94-40-22-4)113-89(83(107-53-35-17)76(70)100-46-28-10)120-72-66(60-96-42-24-6)114-90(84(108-54-36-18)78(72)102-48-30-12)119-71-65(59-95-41-23-5)112-88(82(106-52-34-16)77(71)101-47-29-11)117-69-63(57-93-39-21-3)110-86(115-67)80(104-50-32-14)75(69)99-45-27-9/h19-36,61-90H,1-18,37-60H2/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 | FYCJCYGMUDWQHP-FEFHBOFOSA-N |
| Mol Weight | 1694.0 g/mol |
| Molecular Formula | C90H132O30 |
| Exact Mass | 1692.880343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMqFidT10Ir |
|---|---|
| Name | HEXAKIS-(2,3,6-TRI-O-ALLYL)-ALPHA-CYCLODEXTRIN |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H132O30 |
| InChI | InChI=1S/C90H132O30/c1-19-37-91-55-61-67-73(97-43-25-7)79(103-49-31-13)85(109-61)116-68-62(56-92-38-20-2)111-87(81(105-51-33-15)74(68)98-44-26-8)118-70-64(58-94-40-22-4)113-89(83(107-53-35-17)76(70)100-46-28-10)120-72-66(60-96-42-24-6)114-90(84(108-54-36-18)78(72)102-48-30-12)119-71-65(59-95-41-23-5)112-88(82(106-52-34-16)77(71)101-47-29-11)117-69-63(57-93-39-21-3)110-86(115-67)80(104-50-32-14)75(69)99-45-27-9/h19-36,61-90H,1-18,37-60H2/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 | FYCJCYGMUDWQHP-FEFHBOFOSA-N |
| Literature Reference Author | M.M.BECKER,Z.ZENG,B.J.RAVOO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,6831(2013) |
| Literature Reference DOI | 10.1002/ejoc.201300880 |
| Molecular Weight | 1694.020 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT20676 |