| SpectraBase Compound ID | 4nNTQaroGIH |
|---|---|
| InChI | InChI=1S/C37H52O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)37(43-7)35(38)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,38H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30?,31-,32+,33-,34-,35+,37+/m0/s1 |
| InChIKey | XREIVFCKWQHCIF-RONSWFBCSA-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 | 2EPSg0MQPRU |
|---|---|
| Name | 4-O-Desmethyl-17-hydroxy-5-O-(4'-methoxybenzyl)-3-O-methyl-1,17-seco-17,1,4-soraphen - lactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O9 |
| InChI | InChI=1S/C37H52O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(39)26(3)37(43-7)35(38)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,38H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30?,31-,32+,33-,34-,35+,37+/m0/s1 |
| InChIKey | XREIVFCKWQHCIF-RONSWFBCSA-N |
| Molecular Weight | 640.814 g/mol |
| SMILES | O[C@]1([C@@]2(O[C@@]([C@](\C=C\[C@]([C@@](OC)(CCCCC(OC([C@]2(C)[H])=O)c2ccccc2)[H])(OC)[H])(C)[H])([C@]([C@@]1(OCc1ccc(cc1)OC)[H])(C)[H])[H])OC)[H] |
| SPLASH | splash10-00di-0900000000-efa23a8d05ea3ac12973 |
| Source of Spectrum | U-1995-810-13 |
| Wiley ID | 766752 |