SpectraBase Compound ID | 8a4PhdxJG68 |
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InChI | InChI=1S/C37H66O8/c1-3-16-29(38)17-12-10-11-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-9-7-5-4-6-8-13-18-30(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 | HEDDCESKVXQTOV-MKQHPUIBSA-N |
Mol Weight | 638.9 g/mol |
Molecular Formula | C37H66O8 |
Exact Mass | 638.475769 g/mol |
SpectraBase Spectrum ID | 8RWgvYqlOKO |
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Name | 31-HYDROXY-BULLATACIN |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C37H66O8 |
InChI | InChI=1S/C37H66O8/c1-3-16-29(38)17-12-10-11-15-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)19-14-9-7-5-4-6-8-13-18-30(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 | HEDDCESKVXQTOV-MKQHPUIBSA-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 | UWVN3552 |