| SpectraBase Compound ID | A1PQVDJfLU8 |
|---|---|
| InChI | InChI=1S/C37H66O8/c1-3-4-16-29(38)17-13-11-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-10-8-6-5-7-9-12-18-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32-,33+,34+,35+,36+/m0/s1 |
| InChIKey | IIQKRXFSAAYQDG-BSOITKJNSA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C37H66O8 |
| Exact Mass | 638.475769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qPG4l4EuQt |
|---|---|
| Name | 30S-HYDROXY-BULLATACIN;MAJOR-DIASTEREOMER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O8 |
| InChI | InChI=1S/C37H66O8/c1-3-4-16-29(38)17-13-11-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-10-8-6-5-7-9-12-18-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32-,33+,34+,35+,36+/m0/s1 |
| InChIKey | IIQKRXFSAAYQDG-BSOITKJNSA-N |
| Literature Reference Author | Z.M.GU,L.ZENG,J.T.SCHWEDLER,K.V.WOOD,J.L.MCLAUGHLIN |
| Literature Reference Citation | PHYTOCHEM.,40,467(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00308-T |
| Molecular Weight | 638.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3553 |