| SpectraBase Compound ID | Ee05jnp5SYw |
|---|---|
| InChI | InChI=1S/C48H82O40S/c49-4-14-34-21(57)27(63)43(75-14)83-36-16(6-51)77-45(29(65)23(36)59)85-38-18(8-53)79-47(31(67)25(38)61)87-40-20(10-55)81-48(41(33(40)69)74-12-13(56)11-73-2-1-3-89(70,71)72)88-39-19(9-54)80-46(32(68)26(39)62)86-37-17(7-52)78-44(30(66)24(37)60)84-35-15(5-50)76-42(82-34)28(64)22(35)58/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 | YODNMDNHKDWZOM-XXYSBWKFSA-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 | JN9jHEDFIwx |
|---|---|
| Name | 2-(I)-O-(3-SULFONATOPROPYLOXY-2-HYDROXYPROPYL)-CYCLOMALTOHEPTAOSE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H81O40S |
| InChI | InChI=1S/C48H82O40S/c49-4-14-34-21(57)27(63)43(75-14)83-36-16(6-51)77-45(29(65)23(36)59)85-38-18(8-53)79-47(31(67)25(38)61)87-40-20(10-55)81-48(41(33(40)69)74-12-13(56)11-73-2-1-3-89(70,71)72)88-39-19(9-54)80-46(32(68)26(39)62)86-37-17(7-52)78-44(30(66)24(37)60)84-35-15(5-50)76-42(82-34)28(64)22(35)58/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 | YODNMDNHKDWZOM-XXYSBWKFSA-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 | UWMZ2925 |