| SpectraBase Compound ID | 9sHnShzRg91 |
|---|---|
| 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-GIHFPVIWSA-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 | 7o65LsTQoki |
|---|---|
| Name | 22-O-ACETYL-21-O-(3',4'-DI-O-ANGELOYL)-BETA-D-FUCOPYRANOSYL-PROTOAESCIGENIN-3-O-BETA-D-GLUCURONOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-GIHFPVIWSA-N |
| Literature Reference Author | Y.CHEN,T.TAKEDA,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,1043(1985) |
| Literature Reference DOI | 10.1248/cpb.33.1043 |
| Molecular Weight | 1035.234 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK53 |