| SpectraBase Compound ID | 6dltwqIIRjh |
|---|---|
| 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-RQEQQZPOSA-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 | 9VF8HlSFh3T |
|---|---|
| Name | 16-O-ACETYL-21-O-(3',4'-DI-O-ANGELOYL)-BETA-D-FUCOPYRANOSYL-PROTOAESCIGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-RQEQQZPOSA-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 | 859.108 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK52 |