| SpectraBase Compound ID | 8GY4vdceFrz |
|---|---|
| InChI | InChI=1S/C45H76O38S/c46-4-11-31-18(53)24(59)40(70-11)78-33-13(6-48)72-42(26(61)20(33)55)80-35-15(8-50)74-44(28(63)22(35)57)82-37-17(10-52)76-45(38(30(37)65)69-2-1-3-84(66,67)68)83-36-16(9-51)75-43(29(64)23(36)58)81-34-14(7-49)73-41(27(62)21(34)56)79-32-12(5-47)71-39(77-31)25(60)19(32)54/h11-65H,1-10H2,(H,66,67,68)/p-1/t11-,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-,43-,44-,45-/m1/s1 |
| InChIKey | MPFNKXFFMZMQEK-FPPUMMFJSA-M |
| Mol Weight | 1256.1 g/mol |
| Molecular Formula | C45H75O38S |
| Exact Mass | 1255.365704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pdmm6J4Rs |
|---|---|
| Name | 2-(I)-O-(3-SULFONATOPROPYL)-CYCLOMALTOHEPTAOSE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H75O38S |
| InChI | InChI=1S/C45H76O38S/c46-4-11-31-18(53)24(59)40(70-11)78-33-13(6-48)72-42(26(61)20(33)55)80-35-15(8-50)74-44(28(63)22(35)57)82-37-17(10-52)76-45(38(30(37)65)69-2-1-3-84(66,67)68)83-36-16(9-51)75-43(29(64)23(36)58)81-34-14(7-49)73-41(27(62)21(34)56)79-32-12(5-47)71-39(77-31)25(60)19(32)54/h11-65H,1-10H2,(H,66,67,68)/p-1/t11-,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-,43-,44-,45-/m1/s1 |
| InChIKey | MPFNKXFFMZMQEK-FPPUMMFJSA-M |
| Literature Reference Author | G.WENZ,T.HOEFLER |
| Literature Reference Citation | CARBOHYDR.RES.,322,153(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00224-4 |
| Molecular Weight | 1256.128 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ2924 |