| SpectraBase Compound ID | 4QQBDIiPLcB |
|---|---|
| InChI | InChI=1S/C54H46O16/c55-41-42-39(32-62-52(68-42)38-29-17-6-18-30-38)63-53(44(41)65-48(57)34-21-9-2-10-22-34)69-43-40(31-61-47(56)33-19-7-1-8-20-33)64-54(70-51(60)37-27-15-5-16-28-37)46(67-50(59)36-25-13-4-14-26-36)45(43)66-49(58)35-23-11-3-12-24-35/h1-30,39-46,52-55H,31-32H2/t39-,40-,41+,42+,43-,44+,45+,46+,52?,53+,54-/m0/s1 |
| InChIKey | BQLONBKVVORWFJ-KYTZSTGCSA-N |
| Mol Weight | 950.9 g/mol |
| Molecular Formula | C54H46O16 |
| Exact Mass | 950.278585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQT15JZrPZ |
|---|---|
| Name | 2-O-BENZOYL-4,6-O-BENZYLIDENE-BETA-D-TALOPYRANOSYL-(1->4)-1,2,3,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H46O16 |
| InChI | InChI=1S/C54H46O16/c55-41-42-39(32-62-52(68-42)38-29-17-6-18-30-38)63-53(44(41)65-48(57)34-21-9-2-10-22-34)69-43-40(31-61-47(56)33-19-7-1-8-20-33)64-54(70-51(60)37-27-15-5-16-28-37)46(67-50(59)36-25-13-4-14-26-36)45(43)66-49(58)35-23-11-3-12-24-35/h1-30,39-46,52-55H,31-32H2/t39-,40-,41+,42+,43-,44+,45+,46+,52?,53+,54-/m0/s1 |
| InChIKey | BQLONBKVVORWFJ-KYTZSTGCSA-N |
| Literature Reference Author | I.A.IVANOVA,A.V.NIKOLAEV |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3093(1998) |
| Literature Reference DOI | 10.1039/a803484b |
| Molecular Weight | 950.950 g/mol |
| Solvent | CDCl3 |