| SpectraBase Compound ID | C4yD5vL78U4 |
|---|---|
| InChI | InChI=1S/C37H52O9/c1-24-17-22-32(41-6)31(40-5)16-12-15-30(28-13-10-9-11-14-28)45-36(38)26(3)37(43-8)35(42-7)34(25(2)33(24)46-37)44-23-27-18-20-29(39-4)21-19-27/h9-11,13-14,17-22,24-26,30-35H,12,15-16,23H2,1-8H3/b22-17+/t24-,25+,26+,30+,31-,32+,33-,34-,35+,37+/m0/s1 |
| InChIKey | MPBBWDQYPYNYCB-QZOBXKBFSA-N |
| Mol Weight | 640.8 g/mol |
| Molecular Formula | C37H52O9 |
| Exact Mass | 640.361133 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 930o1Q95zTa |
|---|---|
| Name | (17R)-5-O-(4'-Methoxybenzyl)-3-O-methyl-16-norsoraphen |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O9 |
| InChI | InChI=1S/C37H52O9/c1-24-17-22-32(41-6)31(40-5)16-12-15-30(28-13-10-9-11-14-28)45-36(38)26(3)37(43-8)35(42-7)34(25(2)33(24)46-37)44-23-27-18-20-29(39-4)21-19-27/h9-11,13-14,17-22,24-26,30-35H,12,15-16,23H2,1-8H3/b22-17+/t24-,25+,26+,30+,31-,32+,33-,34-,35+,37+/m0/s1 |
| InChIKey | MPBBWDQYPYNYCB-QZOBXKBFSA-N |
| Molecular Weight | 640.814 g/mol |
| SMILES | [C@@]12([C@@]([C@]([C@](C)([C@@](O2)([C@](\C=C\[C@]([C@@](OC)(CCC[C@@](OC([C@]1(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])[H])(OCc1ccc(cc1)OC)[H])(OC)[H])OC |
| SPLASH | splash10-00di-0900000000-0bd03d5fb8e59cf94b20 |
| Source of Spectrum | U-1995-815-27 |
| Wiley ID | 766732 |