| SpectraBase Compound ID | IpEi2p1Ycq1 |
|---|---|
| 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-KYENNKPZSA-N |
| Mol Weight | 640.8 g/mol |
| Molecular Formula | C37H52O9 |
| Exact Mass | 640.361133 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bd8Yz9gLthQ |
|---|---|
| Name | (17S)-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-KYENNKPZSA-N |
| Molecular Weight | 640.814 g/mol |
| SMILES | [C@]12([C@@]([C@@](OCc3ccc(OC)cc3)([C@@]([C@@](O1)([C@](\C=C\[C@]([C@@](OC)(CCC[C@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])(C)[H])[H])(OC)[H])OC |
| SPLASH | splash10-00di-0900000000-29c02f6b6eaaa1a4f7b4 |
| Source of Spectrum | U-1995-815-26 |
| Wiley ID | 766733 |