| SpectraBase Compound ID | 27i3rCECfQ9 |
|---|---|
| InChI | InChI=1S/C45H70O13/c1-12-23(2)38(53)57-35-33(52)39(54-24(3)34(35)55-25(4)48)58-36-37(56-26(5)49)45(22-47)28(19-40(36,6)7)27-13-14-30-41(8)17-16-31(50)42(9,21-46)29(41)15-18-43(30,10)44(27,11)20-32(45)51/h12-13,24,28-37,39,46-47,50-52H,14-22H2,1-11H3/b23-12-/t24-,28?,29?,30?,31+,32-,33-,34+,35-,36+,37+,39+,41+,42-,43-,44-,45+/m1/s1 |
| InChIKey | VKKSPDIQSBEGAD-OTIGKFMTSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C45H70O13 |
| Exact Mass | 818.481642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7f6bpNJQndY |
|---|---|
| Name | 21-O-(4-O-ACETYL-3-O-ANGELOYL)-BETA-D-FUCOPYRANOSYL-22-O-ACETYL-PROTOAESCIGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O13 |
| InChI | InChI=1S/C45H70O13/c1-12-23(2)38(53)57-35-33(52)39(54-24(3)34(35)55-25(4)48)58-36-37(56-26(5)49)45(22-47)28(19-40(36,6)7)27-13-14-30-41(8)17-16-31(50)42(9,21-46)29(41)15-18-43(30,10)44(27,11)20-32(45)51/h12-13,24,28-37,39,46-47,50-52H,14-22H2,1-11H3/b23-12-/t24-,28?,29?,30?,31+,32-,33-,34+,35-,36+,37+,39+,41+,42-,43-,44-,45+/m1/s1 |
| InChIKey | VKKSPDIQSBEGAD-OTIGKFMTSA-N |
| Literature Reference Author | Y.CHEN,T.TAKEDA,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,127(1985) |
| Literature Reference DOI | 10.1248/cpb.33.127 |
| Molecular Weight | 819.043 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK189 |