| SpectraBase Compound ID | 7MOLicwusVl |
|---|---|
| InChI | InChI=1S/C37H60O10/c1-32(2)12-14-37(31(44)45-7)15-13-35(5)20(21(37)16-32)8-9-25-33(3)17-22(40)29(34(4,19-39)24(33)10-11-36(25,35)6)47-30-28(43)27(42)26(41)23(18-38)46-30/h8,21-30,38-43H,9-19H2,1-7H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,33-,34-,35+,36+,37-/m0/s1 |
| InChIKey | JBVYXFKEJKMECF-OZRYTIFSSA-N |
| Mol Weight | 664.9 g/mol |
| Molecular Formula | C37H60O10 |
| Exact Mass | 664.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7bsIQ0fdlgK |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-BAYOGENIN-METHYLESTER |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H60O10 |
| InChI | InChI=1S/C37H60O10/c1-32(2)12-14-37(31(44)45-7)15-13-35(5)20(21(37)16-32)8-9-25-33(3)17-22(40)29(34(4,19-39)24(33)10-11-36(25,35)6)47-30-28(43)27(42)26(41)23(18-38)46-30/h8,21-30,38-43H,9-19H2,1-7H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30-,33-,34-,35+,36+,37-/m0/s1 |
| InChIKey | JBVYXFKEJKMECF-OZRYTIFSSA-N |
| Literature Reference Author | Y.SHAO,B.N.ZHOU,J.H.GAO,L.Z.LIN,G.A.CORDELL |
| Literature Reference Citation | PHYTOCHEM.,38,675(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00716-7 |
| Molecular Weight | 664.877 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4888 |