| SpectraBase Compound ID | BnSNmQFeC2D |
|---|---|
| InChI | InChI=1S/C48H82O40S/c49-4-14-35-22(57)29(64)43(76-14)84-37-16(6-51)78-45(31(66)24(37)59)86-39-18(8-53)80-47(33(68)26(39)61)88-41-20(12-74-11-13(55)10-73-2-1-3-89(70,71)72)81-48(34(69)27(41)62)87-40-19(9-54)79-46(32(67)25(40)60)85-38-17(7-52)77-44(30(65)23(38)58)83-36-15(5-50)75-42(82-35)28(63)21(36)56/h13-69H,1-12H2,(H,70,71,72)/p-1/t13?,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-,47-,48-/m1/s1 |
| InChIKey | QOHHCOLGFJHXIB-HXCQGGRWSA-M |
| Mol Weight | 1330.2 g/mol |
| Molecular Formula | C48H81O40S |
| Exact Mass | 1329.402484 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXIQalffP2v |
|---|---|
| Name | 6-O-(3-SULFONATOPROPYLOXY-2-HYDROXYPROPYL)-CYCLOMALTOHEPTAOSE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H81O40S |
| InChI | InChI=1S/C48H82O40S/c49-4-14-35-22(57)29(64)43(76-14)84-37-16(6-51)78-45(31(66)24(37)59)86-39-18(8-53)80-47(33(68)26(39)61)88-41-20(12-74-11-13(55)10-73-2-1-3-89(70,71)72)81-48(34(69)27(41)62)87-40-19(9-54)79-46(32(67)25(40)60)85-38-17(7-52)77-44(30(65)23(38)58)83-36-15(5-50)75-42(82-35)28(63)21(36)56/h13-69H,1-12H2,(H,70,71,72)/p-1/t13?,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-,47-,48-/m1/s1 |
| InChIKey | QOHHCOLGFJHXIB-HXCQGGRWSA-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 | 1330.207 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ2926 |