| SpectraBase Compound ID | 28DlBGYOl8a |
|---|---|
| InChI | InChI=1S/C35H52O9/c1-18-9-14-35(30(41)42)16-15-33(5)19(20(35)17-18)7-8-22-32(4)12-11-23(31(2,3)21(32)10-13-34(22,33)6)43-29-26(38)24(36)25(37)27(44-29)28(39)40/h7,20-27,29,36-38H,1,8-17H2,2-6H3,(H,39,40)(H,41,42)/t20-,21?,22?,23-,24?,25?,26?,27?,29?,32-,33+,34+,35-/m0/s1 |
| InChIKey | ZXFQVHDGDHOFEX-DWBXSVOXSA-N |
| Mol Weight | 616.8 g/mol |
| Molecular Formula | C35H52O9 |
| Exact Mass | 616.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5p7Vd5OqZgL |
|---|---|
| Name | BOUSSINGOSIDE-A-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O9 |
| InChI | InChI=1S/C35H52O9/c1-18-9-14-35(30(41)42)16-15-33(5)19(20(35)17-18)7-8-22-32(4)12-11-23(31(2,3)21(32)10-13-34(22,33)6)43-29-26(38)24(36)25(37)27(44-29)28(39)40/h7,20-27,29,36-38H,1,8-17H2,2-6H3,(H,39,40)(H,41,42)/t20-,21?,22?,23-,24?,25?,26?,27?,29?,32-,33+,34+,35-/m0/s1 |
| InChIKey | ZXFQVHDGDHOFEX-DWBXSVOXSA-N |
| Literature Reference Author | A.ESPADA,J.RODRIGUEZ,M.C.VILLAVERDE,R.RIGUERA |
| Literature Reference Citation | CAN.J.CHEM.,68,2039(1990) |
| Literature Reference DOI | 10.1139/v90-312 |
| Molecular Weight | 616.792 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED11742 |