| SpectraBase Compound ID | 3zfHHpzKlra |
|---|---|
| InChI | InChI=1S/C68H46Br8O19/c69-43-17-1-9-35(25-43)59(77)85-33-51-53(89-61(79)37-11-3-19-45(71)27-37)55(90-62(80)38-12-4-20-46(72)28-38)57(92-64(82)40-14-6-22-48(74)30-40)67(87-51)94-54-52(34-86-60(78)36-10-2-18-44(70)26-36)88-68(95-66(84)42-16-8-24-50(76)32-42)58(93-65(83)41-15-7-23-49(75)31-41)56(54)91-63(81)39-13-5-21-47(73)29-39/h1-32,51-58,67-68H,33-34H2/t51-,52-,53+,54-,55+,56+,57-,58-,67+,68-/m1/s1 |
| InChIKey | SVNPOJSHWNBJJZ-CCWIZYANSA-N |
| Mol Weight | 1806.3 g/mol |
| Molecular Formula | C68H46Br8O19 |
| Exact Mass | 1797.610033 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fe89CHXbI7Y |
|---|---|
| Name | OCTA-O-(3-BROMO)-BENZOYL-ALPHA-LACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H46Br8O19 |
| InChI | InChI=1S/C68H46Br8O19/c69-43-17-1-9-35(25-43)59(77)85-33-51-53(89-61(79)37-11-3-19-45(71)27-37)55(90-62(80)38-12-4-20-46(72)28-38)57(92-64(82)40-14-6-22-48(74)30-40)67(87-51)94-54-52(34-86-60(78)36-10-2-18-44(70)26-36)88-68(95-66(84)42-16-8-24-50(76)32-42)58(93-65(83)41-15-7-23-49(75)31-41)56(54)91-63(81)39-13-5-21-47(73)29-39/h1-32,51-58,67-68H,33-34H2/t51-,52-,53+,54-,55+,56+,57-,58-,67+,68-/m1/s1 |
| InChIKey | SVNPOJSHWNBJJZ-CCWIZYANSA-N |
| Literature Reference Author | Z.D.WANG,M.MARTIN,S.SHEIKH |
| Literature Reference Citation | MOLECULES,10,1325(2005) |
| Literature Reference DOI | 10.3390/10101325 |
| Molecular Weight | 1806.334 g/mol |
| Sample ID | 56924 |
| Solvent | CDCl3 |