| SpectraBase Compound ID | K8Lm77cPWRs |
|---|---|
| InChI | InChI=1S/C46H74O30/c47-6-16-34-22(53)27(58)41(64-16)72-35-17(7-48)66-43(29(60)24(35)55)74-37-19(9-50)68-45(31(62)26(37)57)76-39-21(11-52)69-46(32(63)40(39)70-33-14-2-12-1-13(4-14)5-15(33)3-12)75-38-20(10-51)67-44(30(61)25(38)56)73-36-18(8-49)65-42(71-34)28(59)23(36)54/h12-63H,1-11H2/t12-,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+,43+,44-,45+,46-/m1/s1 |
| InChIKey | RNNNKKAPCHBOIW-IJTHBPNESA-N |
| Mol Weight | 1107.1 g/mol |
| Molecular Formula | C46H74O30 |
| Exact Mass | 1106.426491 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pBT8PqxqcW |
|---|---|
| Name | 3-O-(2-ADAMANTYL)-ALPHA-CYCLODEXTRIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O30 |
| InChI | InChI=1S/C46H74O30/c47-6-16-34-22(53)27(58)41(64-16)72-35-17(7-48)66-43(29(60)24(35)55)74-37-19(9-50)68-45(31(62)26(37)57)76-39-21(11-52)69-46(32(63)40(39)70-33-14-2-12-1-13(4-14)5-15(33)3-12)75-38-20(10-51)67-44(30(61)25(38)56)73-36-18(8-49)65-42(71-34)28(59)23(36)54/h12-63H,1-11H2/t12-,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+,43+,44-,45+,46-/m1/s1 |
| InChIKey | RNNNKKAPCHBOIW-IJTHBPNESA-N |
| Literature Reference Author | D.KROIS,M.M.BOBEK,A.WERNER,H.KAEHLIG,U.H.BRINKER |
| Literature Reference Citation | ORG.LETTERS,2,315(2000) |
| Literature Reference DOI | 10.1021/ol9912635 |
| Molecular Weight | 1107.076 g/mol |
| Solvent | Unknown |
| Source File Reference | UWSI25785 |