| SpectraBase Compound ID | 21biMPgqnCw |
|---|---|
| InChI | InChI=1S/C42H70O35/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/h8-63H,1-7H2/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 | WHGYBXFWUBPSRW-WYCOXBHRSA-N |
| Mol Weight | 1135.0 g/mol |
| Molecular Formula | C42H70O35 |
| Exact Mass | 1134.369764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xFQffzIJS9 |
|---|---|
| Name | BETA-CYCLODEXTRIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O35 |
| InChI | InChI=1S/C42H70O35/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/h8-63H,1-7H2/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 | WHGYBXFWUBPSRW-WYCOXBHRSA-N |
| Literature Reference Author | L.MARTIN,A.LEON,M.A.MARTIN,B.DELCASTILLO,J.C.MENENDEZ |
| Literature Reference Citation | J.NAT.PROD.,32,991(2003) |
| Molecular Weight | 1134.997 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ45162 |