![3-O-{2-PHENYLDIHYDRO-(3,4,6-TRI-O-BENZOYL-1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)-[2,1-D]-1,3-DIOXOL-2-YL}-2-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GALA](/api/spectrum/94WAK0it5qP/structure.png?h=300&w=458 "3-O-{2-PHENYLDIHYDRO-(3,4,6-TRI-O-BENZOYL-1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)-[2,1-D]-1,3-DIOXOL-2-YL}-2-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GALA")
| SpectraBase Compound ID | 2NjW6avAXoB |
|---|---|
| InChI | InChI=1S/C88H72O25/c89-76(54-31-11-1-12-32-54)97-51-64-67(103-78(91)56-35-15-3-16-36-56)71(105-80(93)58-39-19-5-20-40-58)75-87(102-64)113-88(112-75,63-49-29-10-30-50-63)111-72-69-66(53-99-84(108-69)62-47-27-9-28-48-62)100-85(74(72)107-82(95)60-43-23-7-24-44-60)109-68-65(52-98-77(90)55-33-13-2-14-34-55)101-86(110-83(96)61-45-25-8-26-46-61)73(106-81(94)59-41-21-6-22-42-59)70(68)104-79(92)57-37-17-4-18-38-57/h1-50,64-75,84-87H,51-53H2/t64-,65+,66-,67-,68+,69+,70-,71+,72+,73-,74-,75-,84?,85+,86+,87-,88?/m0/s1 |
| InChIKey | PETFVAOEDHBADQ-BQYMJRRJSA-N |
| Mol Weight | 1529.5 g/mol |
| Molecular Formula | C88H72O25 |
| Exact Mass | 1528.436268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94WAK0it5qP |
|---|---|
| Name | 3-O-{2-PHENYLDIHYDRO-(3,4,6-TRI-O-BENZOYL-1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)-[2,1-D]-1,3-DIOXOL-2-YL}-2-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-GALA |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H72O25 |
| InChI | InChI=1S/C88H72O25/c89-76(54-31-11-1-12-32-54)97-51-64-67(103-78(91)56-35-15-3-16-36-56)71(105-80(93)58-39-19-5-20-40-58)75-87(102-64)113-88(112-75,63-49-29-10-30-50-63)111-72-69-66(53-99-84(108-69)62-47-27-9-28-48-62)100-85(74(72)107-82(95)60-43-23-7-24-44-60)109-68-65(52-98-77(90)55-33-13-2-14-34-55)101-86(110-83(96)61-45-25-8-26-46-61)73(106-81(94)59-41-21-6-22-42-59)70(68)104-79(92)57-37-17-4-18-38-57/h1-50,64-75,84-87H,51-53H2/t64-,65+,66-,67-,68+,69+,70-,71+,72+,73-,74-,75-,84?,85+,86+,87-,88?/m0/s1 |
| InChIKey | PETFVAOEDHBADQ-BQYMJRRJSA-N |
| Literature Reference Author | A.P.HIGSON,Y.E.TSVETKOV,M.A.J.FERGUSON,A.V.NIKOLAEV |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2587(1998) |
| Literature Reference DOI | 10.1039/a802747a |
| Molecular Weight | 1529.525 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3524 |