| SpectraBase Compound ID | 2g2mecBiGiL |
|---|---|
| InChI | InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1 |
| InChIKey | NUSHOJSYOLRGAX-ALBXZGMBSA-N |
| Mol Weight | 646.8 g/mol |
| Molecular Formula | C36H54O10 |
| Exact Mass | 646.371698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWTnHzXncap |
|---|---|
| Name | SEMENOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O10 |
| InChI | InChI=1S/C36H54O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,18,20-27,29,38-40H,8-17H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1 |
| InChIKey | NUSHOJSYOLRGAX-ALBXZGMBSA-N |
| Literature Reference Author | Z.L.SUN,G.L.GAO,Y.F.XIA,J.FENG,Z.Y.OJAO |
| Literature Reference Citation | FITOTERAPIA,82,591(2011) |
| Literature Reference DOI | 10.1016/j.fitote.2011.01.007 |
| Molecular Weight | 646.819 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWDB1005 |