| SpectraBase Compound ID | YqOmfdv3Vr |
|---|---|
| InChI | InChI=1S/C77H126O35/c1-22-29-92-36-43-50-57(78-8)64(85-15)71(99-43)107-51-44(37-93-30-23-2)101-73(66(87-17)58(51)79-9)109-53-46(39-95-32-25-4)103-75(68(89-19)60(53)81-11)111-55-48(41-97-34-27-6)105-77(70(91-21)62(55)83-13)112-56-49(42-98-35-28-7)104-76(69(90-20)63(56)84-14)110-54-47(40-96-33-26-5)102-74(67(88-18)61(54)82-12)108-52-45(38-94-31-24-3)100-72(106-50)65(86-16)59(52)80-10/h22-28,43-77H,1-7,29-42H2,8-21H3/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1 |
| InChIKey | HOLQATCPQPECIJ-VOVBBOMKSA-N |
| Mol Weight | 1611.8 g/mol |
| Molecular Formula | C77H126O35 |
| Exact Mass | 1610.807966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITKb0LQUTvL |
|---|---|
| Name | PER-6-O-ALLYL-PER-2,3-DIMETHYL-BETA-CYCLODEXTRIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H126O35 |
| InChI | InChI=1S/C77H126O35/c1-22-29-92-36-43-50-57(78-8)64(85-15)71(99-43)107-51-44(37-93-30-23-2)101-73(66(87-17)58(51)79-9)109-53-46(39-95-32-25-4)103-75(68(89-19)60(53)81-11)111-55-48(41-97-34-27-6)105-77(70(91-21)62(55)83-13)112-56-49(42-98-35-28-7)104-76(69(90-20)63(56)84-14)110-54-47(40-96-33-26-5)102-74(67(88-18)61(54)82-12)108-52-45(38-94-31-24-3)100-72(106-50)65(86-16)59(52)80-10/h22-28,43-77H,1-7,29-42H2,8-21H3/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1 |
| InChIKey | HOLQATCPQPECIJ-VOVBBOMKSA-N |
| Literature Reference Author | D.A.FULTON,J.F.STODDART |
| Literature Reference Citation | J.ORG.CHEM.,66,8309(2001) |
| Literature Reference DOI | 10.1021/jo010705z |
| Molecular Weight | 1611.826 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29069 |