| SpectraBase Compound ID | 95wEdT6pibe |
|---|---|
| InChI | InChI=1S/C77H140O35/c1-8-15-22-29-92-36-43-64-50(78)57(85)71(99-43)107-65-44(37-93-30-23-16-9-2)101-73(59(87)52(65)80)109-67-46(39-95-32-25-18-11-4)103-75(61(89)54(67)82)111-69-48(41-97-34-27-20-13-6)105-77(63(91)56(69)84)112-70-49(42-98-35-28-21-14-7)104-76(62(90)55(70)83)110-68-47(40-96-33-26-19-12-5)102-74(60(88)53(68)81)108-66-45(38-94-31-24-17-10-3)100-72(106-64)58(86)51(66)79/h43-91H,8-42H2,1-7H3/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 | TXHDCXJSDNCKCU-BNEGIJCDSA-N |
| Mol Weight | 1625.9 g/mol |
| Molecular Formula | C77H140O35 |
| Exact Mass | 1624.917516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoTywpx0Taf |
|---|---|
| Name | HEPTAKIS-(6-O-PENTYL)-BETA-CYCLODEXTRIN |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H140O35 |
| InChI | InChI=1S/C77H140O35/c1-8-15-22-29-92-36-43-64-50(78)57(85)71(99-43)107-65-44(37-93-30-23-16-9-2)101-73(59(87)52(65)80)109-67-46(39-95-32-25-18-11-4)103-75(61(89)54(67)82)111-69-48(41-97-34-27-20-13-6)105-77(63(91)56(69)84)112-70-49(42-98-35-28-21-14-7)104-76(62(90)55(70)83)110-68-47(40-96-33-26-19-12-5)102-74(60(88)53(68)81)108-66-45(38-94-31-24-17-10-3)100-72(106-64)58(86)51(66)79/h43-91H,8-42H2,1-7H3/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 | TXHDCXJSDNCKCU-BNEGIJCDSA-N |
| Literature Reference Author | P.S.BANSAL,C.L.FRANCIS,N.K.HART,S.A.HENDERSON,D.OAKENFULL,A. D.ROBERTSON,G.W.SIMP |
| Literature Reference Citation | AUSTR.J.CHEM.,51,915(1998) |
| Literature Reference DOI | 10.1071/C98064 |
| Molecular Weight | 1625.938 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3500 |