| SpectraBase Compound ID | Ct7UFvQGTm3 |
|---|---|
| InChI | InChI=1S/C54H82O19/c1-13-25(3)45(65)70-39-27(5)67-48(38(62)40(39)71-46(66)26(4)14-2)73-42-43(68-28(6)57)54(24-56)30(21-49(42,7)8)29-15-16-32-50(9)19-18-34(69-47-37(61)35(59)36(60)41(72-47)44(63)64)51(10,23-55)31(50)17-20-52(32,11)53(29,12)22-33(54)58/h13-15,27,30-43,47-48,55-56,58-62H,16-24H2,1-12H3,(H,63,64)/b25-13-,26-14+/t27?,30-,31?,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?,42?,43-,47?,48?,50?,51?,52?,53+,54-/m1/s1 |
| InChIKey | APJPVHIHXTYLRS-PRBCKFIBSA-N |
| Mol Weight | 1035.2 g/mol |
| Molecular Formula | C54H82O19 |
| Exact Mass | 1034.54503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FfoKzK23bdp |
|---|---|
| Name | 22-O-Acetyl-21-O-(3',4'-di-O-angeloyl).beta.-D-fucopyranosyl-protoaescigenin-3-O.beta.-D-glucuronopyranoside |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H82O19 |
| InChI | InChI=1S/C54H82O19/c1-13-25(3)45(65)70-39-27(5)67-48(38(62)40(39)71-46(66)26(4)14-2)73-42-43(68-28(6)57)54(24-56)30(21-49(42,7)8)29-15-16-32-50(9)19-18-34(69-47-37(61)35(59)36(60)41(72-47)44(63)64)51(10,23-55)31(50)17-20-52(32,11)53(29,12)22-33(54)58/h13-15,27,30-43,47-48,55-56,58-62H,16-24H2,1-12H3,(H,63,64)/b25-13-,26-14+/t27?,30-,31?,32?,33-,34?,35?,36?,37?,38?,39?,40?,41?,42?,43-,47?,48?,50?,51?,52?,53+,54-/m1/s1 |
| InChIKey | APJPVHIHXTYLRS-PRBCKFIBSA-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 |