| SpectraBase Compound ID | AQh4larWWp6 |
|---|---|
| InChI | InChI=1S/C42H70O35.C10H12O3/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;1-3-4-8-5-6-9(13-11)10(7-8)12-2/h8-63H,1-7H2;3,5-7,11H,1,4H2,2H3/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41-,42+;/m1./s1 |
| InChIKey | MUHZXXFJFOOSEH-IBBDHHIRSA-N |
| Mol Weight | 1315.19 g/mol |
| Molecular Formula | C52H82O38 |
| Exact Mass | 1314.448408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gfd4SENGUec |
|---|---|
| Name | BETA-CYCLODEXTRIN-3;BETA-CD-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O38 |
| InChI | InChI=1S/C42H70O35.C10H12O3/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;1-3-4-8-5-6-9(13-11)10(7-8)12-2/h8-63H,1-7H2;3,5-7,11H,1,4H2,2H3/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41-,42+;/m1./s1 |
| InChIKey | MUHZXXFJFOOSEH-IBBDHHIRSA-N |
| Literature Reference Author | E.LOCCI,S.LAI,A.PIRAS,B.MARONGIU,A.LAI |
| Literature Reference Citation | CHEM.BIODIV.,1,1354(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490098 |
| Molecular Weight | 1315.200 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS21804 |