| SpectraBase Compound ID | 97UvyxTGGTj |
|---|---|
| InChI | InChI=1S/C48H74O13/c1-13-25(3)40(55)59-36-27(5)57-42(35(53)37(36)60-41(56)26(4)14-2)61-39-38(54)48(24-50)30(21-43(39,7)8)29-15-16-32-44(9)19-18-33(52)45(10,23-49)31(44)17-20-46(32,11)47(29,12)22-34(48)58-28(6)51/h13-15,27,30-39,42,49-50,52-54H,16-24H2,1-12H3/b25-13+,26-14+/t27?,30-,31?,32?,33?,34-,35?,36?,37?,38-,39?,42?,44?,45?,46?,47+,48-/m1/s1 |
| InChIKey | ATQDHDOKPJSHFL-WAZLJYDWSA-N |
| Mol Weight | 859.1 g/mol |
| Molecular Formula | C48H74O13 |
| Exact Mass | 858.512942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YoImVOBs8X |
|---|---|
| Name | 16-O-Acetyl-21-O-(3',4'-di-O-angeloyl).beta.-D-fucopyranosyl-protoaescigenin |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H74O13 |
| InChI | InChI=1S/C48H74O13/c1-13-25(3)40(55)59-36-27(5)57-42(35(53)37(36)60-41(56)26(4)14-2)61-39-38(54)48(24-50)30(21-43(39,7)8)29-15-16-32-44(9)19-18-33(52)45(10,23-49)31(44)17-20-46(32,11)47(29,12)22-34(48)58-28(6)51/h13-15,27,30-39,42,49-50,52-54H,16-24H2,1-12H3/b25-13+,26-14+/t27?,30-,31?,32?,33?,34-,35?,36?,37?,38-,39?,42?,44?,45?,46?,47+,48-/m1/s1 |
| InChIKey | ATQDHDOKPJSHFL-WAZLJYDWSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 1043 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |